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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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/KEDV-3496b595/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-3496b595/inputs/seq.fa: 1
curr_seq: _CAGAGAGAGCACACAGGAACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAGAGAGCACACAGGAACC
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -82.070724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070724 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -3.888
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: -137.174657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.174657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.174657 (E_RNA)
where:
Base-Base interactions energy: -65.731
where: short stacking energy: -55.494
Base-Backbone interact. energy: -0.000
local terms energy: -71.443476
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -11.505
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -124.215368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.215368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.215368 (E_RNA)
where:
Base-Base interactions energy: -62.888
where: short stacking energy: -40.144
Base-Backbone interact. energy: -0.290
local terms energy: -61.037640
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -124.680443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.680443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.680443 (E_RNA)
where:
Base-Base interactions energy: -69.011
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.716
local terms energy: -54.953690
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.862001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.862001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.862001 (E_RNA)
where:
Base-Base interactions energy: -62.842
where: short stacking energy: -45.870
Base-Backbone interact. energy: -0.175
local terms energy: -58.844644
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -104.838167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.838167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.838167 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.074
local terms energy: -63.972701
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -85.899287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899287 (E_RNA)
where:
Base-Base interactions energy: -37.559
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.638
local terms energy: -47.701598
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -104.393266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.393266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.393266 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.048
local terms energy: -59.799041
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -11.860
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -85.722004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722004 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.149
local terms energy: -53.083858
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -0.089
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -86.062477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.062477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.062477 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.021
local terms energy: -49.967718
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -7.763
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -2.074
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -101.192388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.192388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.192388 (E_RNA)
where:
Base-Base interactions energy: -51.434
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.640
local terms energy: -49.117668
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.460
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -156.856873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.856873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.856873 (E_RNA)
where:
Base-Base interactions energy: -87.658
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.077
local terms energy: -69.121680
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -136.882573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.882573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.882573 (E_RNA)
where:
Base-Base interactions energy: -71.727
where: short stacking energy: -38.190
Base-Backbone interact. energy: 0.907
local terms energy: -66.062270
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -128.797839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.797839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.797839 (E_RNA)
where:
Base-Base interactions energy: -69.235
where: short stacking energy: -39.549
Base-Backbone interact. energy: -1.006
local terms energy: -58.556817
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -113.269579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.269579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.269579 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -47.165
Base-Backbone interact. energy: 0.117
local terms energy: -66.221838
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -11.691
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -101.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.945015 (E_RNA)
where:
Base-Base interactions energy: -54.931
where: short stacking energy: -47.617
Base-Backbone interact. energy: 0.312
local terms energy: -47.326670
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -109.156372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.156372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.156372 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.309
local terms energy: -55.807623
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -88.700699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.700699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.700699 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.293
local terms energy: -46.101063
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -84.503456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503456 (E_RNA)
where:
Base-Base interactions energy: -30.980
where: short stacking energy: -26.968
Base-Backbone interact. energy: -0.106
local terms energy: -53.417558
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.507416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507416 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -24.401
Base-Backbone interact. energy: 0.011
local terms energy: -50.727828
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -78.114705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.114705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.114705 (E_RNA)
where:
Base-Base interactions energy: -33.196
where: short stacking energy: -24.369
Base-Backbone interact. energy: -0.314
local terms energy: -44.604802
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -0.271
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -154.316637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.316637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.316637 (E_RNA)
where:
Base-Base interactions energy: -85.531
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.099
local terms energy: -68.685988
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -146.266928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.266928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.266928 (E_RNA)
where:
Base-Base interactions energy: -84.169
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.110
local terms energy: -61.988102
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -8.772
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -131.226625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.226625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.226625 (E_RNA)
where:
Base-Base interactions energy: -61.973
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.355
local terms energy: -68.897975
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.337
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -106.515715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515715 (E_RNA)
where:
Base-Base interactions energy: -55.523
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.209
local terms energy: -50.783971
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -10.764
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -104.295281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.295281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.295281 (E_RNA)
where:
Base-Base interactions energy: -43.618
where: short stacking energy: -42.896
Base-Backbone interact. energy: -0.022
local terms energy: -60.655350
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -109.656529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.656529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.656529 (E_RNA)
where:
Base-Base interactions energy: -54.388
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.024
local terms energy: -55.244614
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -7.867
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -85.319761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319761 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -27.851
Base-Backbone interact. energy: -0.036
local terms energy: -46.437138
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -76.487178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.487178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.487178 (E_RNA)
where:
Base-Base interactions energy: -34.079
where: short stacking energy: -30.327
Base-Backbone interact. energy: -0.353
local terms energy: -42.055022
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -75.893243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.893243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.893243 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.472
local terms energy: -49.537738
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -71.443228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.443228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.443228 (E_RNA)
where:
Base-Base interactions energy: -20.652
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.330
local terms energy: -50.460879
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -153.861767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.861767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.861767 (E_RNA)
where:
Base-Base interactions energy: -81.995
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.178
local terms energy: -71.689215
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -10.397
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: 5
Temperature: 0.950000
Total energy: -134.103039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.103039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.103039 (E_RNA)
where:
Base-Base interactions energy: -73.793
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.151
local terms energy: -60.158359
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -152.377586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.377586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.377586 (E_RNA)
where:
Base-Base interactions energy: -96.272
where: short stacking energy: -45.218
Base-Backbone interact. energy: 0.247
local terms energy: -56.352980
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.753
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -106.368377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.368377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.368377 (E_RNA)
where:
Base-Base interactions energy: -48.216
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.352
local terms energy: -57.800187
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -3.548
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -112.623186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.623186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.623186 (E_RNA)
where:
Base-Base interactions energy: -48.223
where: short stacking energy: -40.614
Base-Backbone interact. energy: -0.119
local terms energy: -64.281042
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -8.190
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -90.358373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.358373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.358373 (E_RNA)
where:
Base-Base interactions energy: -34.109
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.173
local terms energy: -56.076878
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.296
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -99.635117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.635117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.635117 (E_RNA)
where:
Base-Base interactions energy: -48.992
where: short stacking energy: -42.888
Base-Backbone interact. energy: 0.167
local terms energy: -50.810409
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -87.127595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.127595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.127595 (E_RNA)
where:
Base-Base interactions energy: -32.312
where: short stacking energy: -32.312
Base-Backbone interact. energy: -0.009
local terms energy: -54.806441
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -77.004576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.004576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.004576 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -17.876
Base-Backbone interact. energy: -0.273
local terms energy: -43.596173
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -79.482188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.482188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.482188 (E_RNA)
where:
Base-Base interactions energy: -26.463
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.109
local terms energy: -52.910481
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -189.408468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408468 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.003
local terms energy: -72.196823
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -145.679305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.679305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.679305 (E_RNA)
where:
Base-Base interactions energy: -80.879
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.317
local terms energy: -64.483821
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -158.637127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.637127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.637127 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.378
local terms energy: -71.156898
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.565
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -105.502908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.502908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.502908 (E_RNA)
where:
Base-Base interactions energy: -47.311
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.259
local terms energy: -57.932889
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -117.105439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.105439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.105439 (E_RNA)
where:
Base-Base interactions energy: -49.564
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.560
local terms energy: -66.981677
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -10.878
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: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -102.465251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.465251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.465251 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.096
local terms energy: -56.396005
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -101.793555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793555 (E_RNA)
where:
Base-Base interactions energy: -41.125
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.162
local terms energy: -60.506426
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -93.314086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.314086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.314086 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -29.223
Base-Backbone interact. energy: -0.156
local terms energy: -58.839665
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -6.086
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: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.111833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.111833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.111833 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -33.538
Base-Backbone interact. energy: -0.451
local terms energy: -49.123181
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -7.215
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -73.246910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.246910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.246910 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.204
local terms energy: -45.278122
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -5.017
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -181.448693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.448693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.448693 (E_RNA)
where:
Base-Base interactions energy: -108.507
where: short stacking energy: -52.526
Base-Backbone interact. energy: -0.292
local terms energy: -72.650151
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -164.994032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.994032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.994032 (E_RNA)
where:
Base-Base interactions energy: -105.408
where: short stacking energy: -54.666
Base-Backbone interact. energy: -0.711
local terms energy: -58.875577
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -13.207
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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -128.748691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.748691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.748691 (E_RNA)
where:
Base-Base interactions energy: -59.048
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.759
local terms energy: -68.941851
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -104.361317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.361317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.361317 (E_RNA)
where:
Base-Base interactions energy: -48.293
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.196
local terms energy: -55.872552
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -115.344627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.344627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.344627 (E_RNA)
where:
Base-Base interactions energy: -60.830
where: short stacking energy: -33.402
Base-Backbone interact. energy: 1.641
local terms energy: -56.155482
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -108.444485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.444485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.444485 (E_RNA)
where:
Base-Base interactions energy: -45.493
where: short stacking energy: -37.483
Base-Backbone interact. energy: -0.576
local terms energy: -62.375655
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -92.853681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.853681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.853681 (E_RNA)
where:
Base-Base interactions energy: -43.424
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.106
local terms energy: -49.324080
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -7.327
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: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -96.367273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367273 (E_RNA)
where:
Base-Base interactions energy: -43.362
where: short stacking energy: -24.014
Base-Backbone interact. energy: -0.813
local terms energy: -52.192646
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -9.780
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: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -82.461932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.461932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.461932 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.111
local terms energy: -45.241531
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -72.473858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.473858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.473858 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -26.469
Base-Backbone interact. energy: -0.018
local terms energy: -45.986920
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -5.468
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -171.431469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.431469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.431469 (E_RNA)
where:
Base-Base interactions energy: -106.446
where: short stacking energy: -53.871
Base-Backbone interact. energy: -0.686
local terms energy: -64.300245
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -201.250069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.250069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.250069 (E_RNA)
where:
Base-Base interactions energy: -130.517
where: short stacking energy: -61.821
Base-Backbone interact. energy: 0.376
local terms energy: -71.109893
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -122.055278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.055278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.055278 (E_RNA)
where:
Base-Base interactions energy: -68.020
where: short stacking energy: -25.631
Base-Backbone interact. energy: 0.562
local terms energy: -54.597880
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -0.654
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -142.711667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.711667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.711667 (E_RNA)
where:
Base-Base interactions energy: -75.980
where: short stacking energy: -49.544
Base-Backbone interact. energy: 0.274
local terms energy: -67.005486
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -110.816175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.816175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.816175 (E_RNA)
where:
Base-Base interactions energy: -59.694
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.456
local terms energy: -50.666105
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -89.083631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083631 (E_RNA)
where:
Base-Base interactions energy: -44.008
where: short stacking energy: -31.092
Base-Backbone interact. energy: -0.117
local terms energy: -44.959344
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -94.956309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.956309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.956309 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.155
local terms energy: -56.693673
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.633
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -85.457938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457938 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.126
local terms energy: -46.204754
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -2.872
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -85.398685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.398685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.398685 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -28.751
Base-Backbone interact. energy: 0.364
local terms energy: -54.622085
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -6.712
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: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -71.931010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.931010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.931010 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -14.818
Base-Backbone interact. energy: -0.028
local terms energy: -41.618530
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -165.734674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.734674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.734674 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.247
local terms energy: -61.779635
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -7.945
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -208.391724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.391724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.391724 (E_RNA)
where:
Base-Base interactions energy: -136.692
where: short stacking energy: -61.671
Base-Backbone interact. energy: 0.331
local terms energy: -72.030520
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -132.423174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.423174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.423174 (E_RNA)
where:
Base-Base interactions energy: -67.043
where: short stacking energy: -39.894
Base-Backbone interact. energy: 0.334
local terms energy: -65.714034
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -147.159783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.159783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.159783 (E_RNA)
where:
Base-Base interactions energy: -82.974
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.098
local terms energy: -64.088575
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -97.551358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.551358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.551358 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.197
local terms energy: -58.674957
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -90.292346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.292346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.292346 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -25.889
Base-Backbone interact. energy: -1.157
local terms energy: -53.742108
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.566
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: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -89.012143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012143 (E_RNA)
where:
Base-Base interactions energy: -36.829
where: short stacking energy: -29.530
Base-Backbone interact. energy: -0.521
local terms energy: -51.662241
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -80.479524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.479524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.479524 (E_RNA)
where:
Base-Base interactions energy: -25.770
where: short stacking energy: -21.182
Base-Backbone interact. energy: -0.577
local terms energy: -54.132523
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -12.960
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -77.872510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.872510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.872510 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.058
local terms energy: -43.983872
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -1.945
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -90.634876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.634876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.634876 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -30.524
Base-Backbone interact. energy: -1.480
local terms energy: -55.761656
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -205.854940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.854940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.854940 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.369
local terms energy: -76.056640
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -173.978241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.978241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.978241 (E_RNA)
where:
Base-Base interactions energy: -115.329
where: short stacking energy: -47.867
Base-Backbone interact. energy: -0.071
local terms energy: -58.578666
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -10.507
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -179.069280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.069280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.069280 (E_RNA)
where:
Base-Base interactions energy: -113.971
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.004
local terms energy: -65.093446
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -122.601227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.601227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.601227 (E_RNA)
where:
Base-Base interactions energy: -59.554
where: short stacking energy: -33.578
Base-Backbone interact. energy: -0.548
local terms energy: -62.498969
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -125.467814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.467814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.467814 (E_RNA)
where:
Base-Base interactions energy: -70.661
where: short stacking energy: -44.558
Base-Backbone interact. energy: -1.212
local terms energy: -53.595394
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -95.930348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.930348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.930348 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -36.855
Base-Backbone interact. energy: -0.554
local terms energy: -58.521863
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -128.975599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.975599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.975599 (E_RNA)
where:
Base-Base interactions energy: -73.169
where: short stacking energy: -39.636
Base-Backbone interact. energy: -0.672
local terms energy: -55.134234
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -105.231755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.231755 (E_RNA)
where:
Base-Base interactions energy: -53.141
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.141
local terms energy: -51.950230
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -84.209861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.209861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.209861 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -24.768
Base-Backbone interact. energy: -0.377
local terms energy: -47.960717
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -95.104526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104526 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -25.992
Base-Backbone interact. energy: -0.246
local terms energy: -51.573168
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -8.561
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -207.122020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.122020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.122020 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.054
local terms energy: -74.035741
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -189.435877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.435877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.435877 (E_RNA)
where:
Base-Base interactions energy: -119.021
where: short stacking energy: -65.455
Base-Backbone interact. energy: -0.002
local terms energy: -70.412864
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -168.029067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.029067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.029067 (E_RNA)
where:
Base-Base interactions energy: -102.535
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.310
local terms energy: -65.184104
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -114.291658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.291658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.291658 (E_RNA)
where:
Base-Base interactions energy: -51.695
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.210
local terms energy: -62.386472
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.526
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: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -103.075047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.075047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.075047 (E_RNA)
where:
Base-Base interactions energy: -40.614
where: short stacking energy: -40.614
Base-Backbone interact. energy: -0.094
local terms energy: -62.366993
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -105.492141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492141 (E_RNA)
where:
Base-Base interactions energy: -47.950
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.037
local terms energy: -57.504916
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -101.951199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.951199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.951199 (E_RNA)
where:
Base-Base interactions energy: -52.345
where: short stacking energy: -38.151
Base-Backbone interact. energy: 1.277
local terms energy: -50.883444
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -86.860400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860400 (E_RNA)
where:
Base-Base interactions energy: -35.790
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.040
local terms energy: -51.030232
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -84.378001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.378001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.378001 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -26.765
Base-Backbone interact. energy: -0.136
local terms energy: -56.800929
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -80.000024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000024 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.136
local terms energy: -40.201981
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -1.545
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -208.006927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.006927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.006927 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.083
local terms energy: -75.100565
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -198.776092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.776092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.776092 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -68.311
Base-Backbone interact. energy: 0.837
local terms energy: -78.914019
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -172.446202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.446202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.446202 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.164
local terms energy: -64.973431
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -12.521
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: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -103.157844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.157844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.157844 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -38.214
Base-Backbone interact. energy: -0.638
local terms energy: -62.830221
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -120.261619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.261619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.261619 (E_RNA)
where:
Base-Base interactions energy: -50.578
where: short stacking energy: -50.335
Base-Backbone interact. energy: -0.015
local terms energy: -69.668864
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -101.200175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.200175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.200175 (E_RNA)
where:
Base-Base interactions energy: -41.545
where: short stacking energy: -41.545
Base-Backbone interact. energy: -0.219
local terms energy: -59.436128
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -8.545
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: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -99.243197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243197 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -36.601
Base-Backbone interact. energy: -2.188
local terms energy: -54.073669
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.627
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: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -91.264954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264954 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.124
local terms energy: -56.449237
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -75.493182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.493182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.493182 (E_RNA)
where:
Base-Base interactions energy: -23.561
where: short stacking energy: -22.921
Base-Backbone interact. energy: -0.346
local terms energy: -51.586371
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.175620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.175620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.175620 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.250
local terms energy: -40.061748
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -209.573052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.573052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.573052 (E_RNA)
where:
Base-Base interactions energy: -129.647
where: short stacking energy: -63.318
Base-Backbone interact. energy: -0.014
local terms energy: -79.911326
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -191.023874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.023874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.023874 (E_RNA)
where:
Base-Base interactions energy: -113.381
where: short stacking energy: -64.659
Base-Backbone interact. energy: 0.974
local terms energy: -78.616991
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -148.855136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.855136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.855136 (E_RNA)
where:
Base-Base interactions energy: -79.304
where: short stacking energy: -50.033
Base-Backbone interact. energy: 0.355
local terms energy: -69.906773
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -127.261928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.261928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.261928 (E_RNA)
where:
Base-Base interactions energy: -69.602
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.636
local terms energy: -57.024147
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -6.171
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: 13
Temperature: 1.100000
Total energy: -110.961427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.961427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.961427 (E_RNA)
where:
Base-Base interactions energy: -52.443
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.016
local terms energy: -58.502933
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -10.920
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -95.251389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.251389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.251389 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.012
local terms energy: -59.830671
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.145128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.145128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.145128 (E_RNA)
where:
Base-Base interactions energy: -48.854
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.143
local terms energy: -51.147484
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -89.239827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239827 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.161
local terms energy: -49.225292
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -0.820
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -83.001184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.001184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.001184 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.173
local terms energy: -53.168908
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -88.660945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.660945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.660945 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -33.032
Base-Backbone interact. energy: -0.036
local terms energy: -55.593364
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -203.070460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.070460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.070460 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -65.548
Base-Backbone interact. energy: -0.472
local terms energy: -75.798993
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -189.898676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898676 (E_RNA)
where:
Base-Base interactions energy: -115.841
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.009
local terms energy: -74.048891
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -174.670301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.670301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.670301 (E_RNA)
where:
Base-Base interactions energy: -103.222
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.010
local terms energy: -71.438812
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -16.878
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: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -120.453866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.453866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.453866 (E_RNA)
where:
Base-Base interactions energy: -59.388
where: short stacking energy: -47.257
Base-Backbone interact. energy: -0.412
local terms energy: -60.653517
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -6.826
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: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -101.980549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.980549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.980549 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.112
local terms energy: -51.873805
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -90.770095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.770095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.770095 (E_RNA)
where:
Base-Base interactions energy: -36.051
where: short stacking energy: -36.051
Base-Backbone interact. energy: -0.650
local terms energy: -54.069020
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -4.746
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: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -89.346953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346953 (E_RNA)
where:
Base-Base interactions energy: -28.096
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.257
local terms energy: -60.993676
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -105.839668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.839668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.839668 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -37.956
Base-Backbone interact. energy: 0.068
local terms energy: -58.682671
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -82.323928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323928 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -21.454
Base-Backbone interact. energy: -0.270
local terms energy: -48.493783
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -5.407
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -70.937388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.937388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.937388 (E_RNA)
where:
Base-Base interactions energy: -24.173
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.404
local terms energy: -46.360039
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.000
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: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -202.576714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576714 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.067
local terms energy: -78.162788
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -17.673
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -180.842578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842578 (E_RNA)
where:
Base-Base interactions energy: -109.429
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.198
local terms energy: -71.214895
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.024
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -179.556292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.556292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.556292 (E_RNA)
where:
Base-Base interactions energy: -102.000
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.731
local terms energy: -76.824824
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -116.140582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.140582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.140582 (E_RNA)
where:
Base-Base interactions energy: -60.888
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.264
local terms energy: -54.988137
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -111.340015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.340015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.340015 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.091
local terms energy: -57.619677
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -99.249153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.249153 (E_RNA)
where:
Base-Base interactions energy: -53.585
where: short stacking energy: -29.790
Base-Backbone interact. energy: 1.372
local terms energy: -47.036266
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -93.686538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686538 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -28.910
Base-Backbone interact. energy: 1.597
local terms energy: -56.207371
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -86.026026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026026 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -28.220
Base-Backbone interact. energy: 0.164
local terms energy: -53.708690
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -9.901
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: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -80.005866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.005866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.005866 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -36.421
Base-Backbone interact. energy: 0.819
local terms energy: -44.804045
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.438176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.438176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.438176 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -16.411
Base-Backbone interact. energy: -0.268
local terms energy: -42.101891
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -8.912
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -202.090129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.090129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090129 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.002
local terms energy: -72.224662
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -178.982403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.982403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.982403 (E_RNA)
where:
Base-Base interactions energy: -107.579
where: short stacking energy: -53.468
Base-Backbone interact. energy: -0.051
local terms energy: -71.352516
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -15.369
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -160.983321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.983321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.983321 (E_RNA)
where:
Base-Base interactions energy: -84.873
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.024
local terms energy: -76.085861
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -13.435
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: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -138.557217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.557217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.557217 (E_RNA)
where:
Base-Base interactions energy: -77.150
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.252
local terms energy: -61.155249
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -6.955
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -98.985310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985310 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.133
local terms energy: -63.146081
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.477
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: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -100.279709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279709 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -39.827
Base-Backbone interact. energy: -0.166
local terms energy: -55.899215
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -4.867
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -83.417773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.417773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.417773 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -30.700
Base-Backbone interact. energy: -0.258
local terms energy: -43.678014
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.217
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -88.342446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.342446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.342446 (E_RNA)
where:
Base-Base interactions energy: -36.630
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.344
local terms energy: -51.369084
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.854
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -76.597006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.597006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.597006 (E_RNA)
where:
Base-Base interactions energy: -30.333
where: short stacking energy: -18.972
Base-Backbone interact. energy: -0.797
local terms energy: -45.467147
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -76.680291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.680291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.680291 (E_RNA)
where:
Base-Base interactions energy: -20.298
where: short stacking energy: -18.493
Base-Backbone interact. energy: 0.182
local terms energy: -56.564952
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -193.610595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.610595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.610595 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.631
local terms energy: -75.614249
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -178.090550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.090550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.090550 (E_RNA)
where:
Base-Base interactions energy: -105.081
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.032
local terms energy: -72.977492
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -14.853
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -174.247531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.247531 (E_RNA)
where:
Base-Base interactions energy: -97.916
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.371
local terms energy: -75.959897
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -135.591142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.591142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.591142 (E_RNA)
where:
Base-Base interactions energy: -78.013
where: short stacking energy: -42.024
Base-Backbone interact. energy: 0.159
local terms energy: -57.737237
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -9.054
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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -123.466883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.466883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.466883 (E_RNA)
where:
Base-Base interactions energy: -59.180
where: short stacking energy: -48.421
Base-Backbone interact. energy: -0.348
local terms energy: -63.938838
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -102.101386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.101386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.101386 (E_RNA)
where:
Base-Base interactions energy: -44.993
where: short stacking energy: -44.993
Base-Backbone interact. energy: 0.173
local terms energy: -57.281202
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -103.047382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.047382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.047382 (E_RNA)
where:
Base-Base interactions energy: -48.189
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.360
local terms energy: -54.498044
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.923
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: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -80.925028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.925028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.925028 (E_RNA)
where:
Base-Base interactions energy: -26.588
where: short stacking energy: -26.588
Base-Backbone interact. energy: 0.039
local terms energy: -54.376019
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -11.961
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: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -77.912724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912724 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -23.977
Base-Backbone interact. energy: 1.893
local terms energy: -50.992176
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -78.463484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463484 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.772
local terms energy: -43.281882
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -199.352738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352738 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.058
local terms energy: -70.658153
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.881
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: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -165.157985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.157985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.157985 (E_RNA)
where:
Base-Base interactions energy: -93.438
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.033
local terms energy: -71.687299
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -176.780371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.780371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.780371 (E_RNA)
where:
Base-Base interactions energy: -101.433
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.835
local terms energy: -74.513209
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -148.549369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.549369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.549369 (E_RNA)
where:
Base-Base interactions energy: -74.309
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.489
local terms energy: -73.751549
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -108.529771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.529771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.529771 (E_RNA)
where:
Base-Base interactions energy: -49.652
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.002
local terms energy: -58.875724
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -9.302
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: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -94.678263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.678263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.678263 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -39.957
Base-Backbone interact. energy: 0.265
local terms energy: -54.986364
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -86.410322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410322 (E_RNA)
where:
Base-Base interactions energy: -31.639
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.168
local terms energy: -54.603520
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -6.959
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: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -101.866149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866149 (E_RNA)
where:
Base-Base interactions energy: -40.916
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.002
local terms energy: -60.948104
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -79.515167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.515167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.515167 (E_RNA)
where:
Base-Base interactions energy: -26.064
where: short stacking energy: -14.412
Base-Backbone interact. energy: -0.559
local terms energy: -52.892324
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -83.384695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.384695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.384695 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -22.686
Base-Backbone interact. energy: -0.112
local terms energy: -44.301415
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -200.196431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196431 (E_RNA)
where:
Base-Base interactions energy: -127.762
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.401
local terms energy: -72.033819
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -6.617
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: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -169.513567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513567 (E_RNA)
where:
Base-Base interactions energy: -101.701
where: short stacking energy: -57.706
Base-Backbone interact. energy: -1.470
local terms energy: -66.342782
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -10.940
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -172.292206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.292206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.292206 (E_RNA)
where:
Base-Base interactions energy: -114.808
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.210
local terms energy: -57.274222
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -116.913019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.913019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.913019 (E_RNA)
where:
Base-Base interactions energy: -59.644
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.827
local terms energy: -56.441606
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -104.881910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.881910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.881910 (E_RNA)
where:
Base-Base interactions energy: -43.123
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.040
local terms energy: -61.719067
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -106.456126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.456126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.456126 (E_RNA)
where:
Base-Base interactions energy: -47.118
where: short stacking energy: -42.868
Base-Backbone interact. energy: 0.949
local terms energy: -60.286561
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -90.572747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572747 (E_RNA)
where:
Base-Base interactions energy: -44.232
where: short stacking energy: -26.248
Base-Backbone interact. energy: 1.308
local terms energy: -47.649550
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -86.609042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.609042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.609042 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.112
local terms energy: -46.583040
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -6.354
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -95.490094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.490094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.490094 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.161
local terms energy: -51.094855
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -72.515490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.515490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.515490 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.566
local terms energy: -43.015549
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -3.323
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: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -178.515461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.515461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.515461 (E_RNA)
where:
Base-Base interactions energy: -114.087
where: short stacking energy: -57.381
Base-Backbone interact. energy: 0.214
local terms energy: -64.642416
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -189.679351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.679351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.679351 (E_RNA)
where:
Base-Base interactions energy: -119.167
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.102
local terms energy: -70.410867
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -168.266517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.266517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.266517 (E_RNA)
where:
Base-Base interactions energy: -103.719
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.692
local terms energy: -63.855882
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -109.725521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.725521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.725521 (E_RNA)
where:
Base-Base interactions energy: -52.206
where: short stacking energy: -52.206
Base-Backbone interact. energy: -0.059
local terms energy: -57.461147
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -107.714545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.714545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.714545 (E_RNA)
where:
Base-Base interactions energy: -47.847
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.127
local terms energy: -59.740820
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -88.569380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569380 (E_RNA)
where:
Base-Base interactions energy: -39.111
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.342
local terms energy: -49.117261
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -5.396
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: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -93.304492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.304492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.304492 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.079
local terms energy: -53.333359
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -86.922121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.922121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.922121 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.076
local terms energy: -48.228652
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -3.517
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: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -74.466037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.466037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.466037 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -17.062
Base-Backbone interact. energy: 1.154
local terms energy: -49.259828
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: 5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -80.861731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.861731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.861731 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -28.421
Base-Backbone interact. energy: 0.815
local terms energy: -53.255790
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -182.492116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.492116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.492116 (E_RNA)
where:
Base-Base interactions energy: -116.808
where: short stacking energy: -55.162
Base-Backbone interact. energy: -0.235
local terms energy: -65.448975
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -186.592185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.592185 (E_RNA)
where:
Base-Base interactions energy: -124.988
where: short stacking energy: -52.782
Base-Backbone interact. energy: -0.224
local terms energy: -61.380813
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -9.582
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -180.746206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.746206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.746206 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.002
local terms energy: -69.345583
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -126.092499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.092499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.092499 (E_RNA)
where:
Base-Base interactions energy: -66.169
where: short stacking energy: -46.687
Base-Backbone interact. energy: 0.054
local terms energy: -59.977394
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -123.443297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.443297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.443297 (E_RNA)
where:
Base-Base interactions energy: -68.704
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.184
local terms energy: -54.554617
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -88.465235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.465235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.465235 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.232
local terms energy: -53.934008
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -82.887088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887088 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -29.584
Base-Backbone interact. energy: 0.250
local terms energy: -49.498155
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: 0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -78.989399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.989399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.989399 (E_RNA)
where:
Base-Base interactions energy: -22.931
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.492
local terms energy: -55.565917
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -7.930
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: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -81.547017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547017 (E_RNA)
where:
Base-Base interactions energy: -33.823
where: short stacking energy: -29.074
Base-Backbone interact. energy: -0.310
local terms energy: -47.413591
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -67.027732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.027732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.027732 (E_RNA)
where:
Base-Base interactions energy: -23.912
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.123
local terms energy: -42.993389
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -181.734970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.734970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.734970 (E_RNA)
where:
Base-Base interactions energy: -109.247
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.319
local terms energy: -72.168907
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -14.433
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -190.238521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238521 (E_RNA)
where:
Base-Base interactions energy: -121.019
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.171
local terms energy: -69.048173
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -190.948513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.948513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.948513 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.119
local terms energy: -76.250122
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.556
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: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -102.036463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036463 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.329
local terms energy: -66.756765
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.831
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: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -109.945930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.945930 (E_RNA)
where:
Base-Base interactions energy: -58.326
where: short stacking energy: -37.738
Base-Backbone interact. energy: -1.569
local terms energy: -50.051601
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -109.877102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.877102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.877102 (E_RNA)
where:
Base-Base interactions energy: -47.847
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.087
local terms energy: -61.942750
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -11.857
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: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -82.605289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.605289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.605289 (E_RNA)
where:
Base-Base interactions energy: -41.419
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.290
local terms energy: -40.896273
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -6.520
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: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -86.512714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.512714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.512714 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -26.125
Base-Backbone interact. energy: -1.002
local terms energy: -47.058669
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -6.246
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: 22
Temperature: 1.300000
Total energy: -82.646915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646915 (E_RNA)
where:
Base-Base interactions energy: -41.592
where: short stacking energy: -16.867
Base-Backbone interact. energy: -0.180
local terms energy: -40.874339
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -4.991
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: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -81.242278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242278 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.092
local terms energy: -49.901289
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.978
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -166.279770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.279770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.279770 (E_RNA)
where:
Base-Base interactions energy: -102.451
where: short stacking energy: -50.563
Base-Backbone interact. energy: 0.411
local terms energy: -64.240048
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -184.338789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.338789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.338789 (E_RNA)
where:
Base-Base interactions energy: -107.497
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.033
local terms energy: -76.808794
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -165.110356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.110356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.110356 (E_RNA)
where:
Base-Base interactions energy: -102.293
where: short stacking energy: -52.895
Base-Backbone interact. energy: 1.338
local terms energy: -64.156018
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -122.987287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.987287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.987287 (E_RNA)
where:
Base-Base interactions energy: -58.775
where: short stacking energy: -54.394
Base-Backbone interact. energy: -0.060
local terms energy: -64.152450
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -110.823373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.823373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.823373 (E_RNA)
where:
Base-Base interactions energy: -52.466
where: short stacking energy: -45.697
Base-Backbone interact. energy: -0.006
local terms energy: -58.350851
where:
bonds (distance) C4'-P energy: -5.621
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -13.703
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: 23
Temperature: 1.150000
Total energy: -101.362037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.362037 (E_RNA)
where:
Base-Base interactions energy: -47.286
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.461
local terms energy: -53.614145
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -92.053429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.053429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.053429 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.100
local terms energy: -61.910098
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -88.063989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.063989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.063989 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -28.371
Base-Backbone interact. energy: -1.023
local terms energy: -48.706859
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -103.366645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366645 (E_RNA)
where:
Base-Base interactions energy: -42.562
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.053
local terms energy: -60.751628
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -7.485
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: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -87.035984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.035984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.035984 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.043
local terms energy: -56.375465
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -4.537
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -189.233012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.233012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.233012 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.018
local terms energy: -75.626512
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -167.072541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.072541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.072541 (E_RNA)
where:
Base-Base interactions energy: -92.632
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.265
local terms energy: -74.175435
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.132
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: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -119.576220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.576220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.576220 (E_RNA)
where:
Base-Base interactions energy: -54.773
where: short stacking energy: -46.674
Base-Backbone interact. energy: 0.281
local terms energy: -65.083909
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -151.674420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.674420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.674420 (E_RNA)
where:
Base-Base interactions energy: -78.705
where: short stacking energy: -49.114
Base-Backbone interact. energy: -0.128
local terms energy: -72.841524
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -13.430
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: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -104.021032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.021032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.021032 (E_RNA)
where:
Base-Base interactions energy: -43.247
where: short stacking energy: -35.940
Base-Backbone interact. energy: -0.035
local terms energy: -60.739072
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.151
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: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -89.864474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.864474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.864474 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -25.272
Base-Backbone interact. energy: -0.364
local terms energy: -50.997704
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -113.942726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.942726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.942726 (E_RNA)
where:
Base-Base interactions energy: -51.600
where: short stacking energy: -44.363
Base-Backbone interact. energy: -0.220
local terms energy: -62.122815
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -8.996
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: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -94.160422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.160422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.160422 (E_RNA)
where:
Base-Base interactions energy: -40.542
where: short stacking energy: -33.530
Base-Backbone interact. energy: 0.297
local terms energy: -53.914765
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -77.458968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458968 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -32.624
Base-Backbone interact. energy: 0.581
local terms energy: -45.416588
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -4.354
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -88.246694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.246694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.246694 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -39.572
Base-Backbone interact. energy: -0.112
local terms energy: -48.562978
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -5.087
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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -200.941241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.941241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941241 (E_RNA)
where:
Base-Base interactions energy: -117.848
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.566
local terms energy: -82.527883
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -170.027019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.027019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.027019 (E_RNA)
where:
Base-Base interactions energy: -98.087
where: short stacking energy: -51.026
Base-Backbone interact. energy: -0.911
local terms energy: -71.029620
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -108.036931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.036931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.036931 (E_RNA)
where:
Base-Base interactions energy: -45.667
where: short stacking energy: -45.667
Base-Backbone interact. energy: -0.003
local terms energy: -62.366863
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -12.090
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: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -135.313448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.313448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.313448 (E_RNA)
where:
Base-Base interactions energy: -70.573
where: short stacking energy: -40.418
Base-Backbone interact. energy: -0.063
local terms energy: -64.677359
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -94.444020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.444020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.444020 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.238
local terms energy: -55.572559
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -115.188224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.188224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.188224 (E_RNA)
where:
Base-Base interactions energy: -56.329
where: short stacking energy: -35.993
Base-Backbone interact. energy: 0.047
local terms energy: -58.906077
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -93.227298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.227298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.227298 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.488
local terms energy: -54.010766
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -91.914802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914802 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -37.827
Base-Backbone interact. energy: -0.057
local terms energy: -54.030235
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -90.226668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226668 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.087
local terms energy: -46.576895
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.617083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.617083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.617083 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -17.794
Base-Backbone interact. energy: -0.151
local terms energy: -44.603675
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: 5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -213.556724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.556724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.556724 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -77.247
Base-Backbone interact. energy: -0.657
local terms energy: -88.180810
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -163.736466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.736466 (E_RNA)
where:
Base-Base interactions energy: -99.565
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.206
local terms energy: -63.965385
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -168.314319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.314319 (E_RNA)
where:
Base-Base interactions energy: -100.746
where: short stacking energy: -52.805
Base-Backbone interact. energy: -1.305
local terms energy: -66.263026
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.964
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: 26
Temperature: 1.050000
Total energy: -103.702350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.702350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.702350 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.123
local terms energy: -61.911763
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -101.667365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667365 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -42.375
Base-Backbone interact. energy: -0.229
local terms energy: -53.802499
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -96.738845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738845 (E_RNA)
where:
Base-Base interactions energy: -43.621
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.142
local terms energy: -52.976305
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -91.620674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.620674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.620674 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -34.547
Base-Backbone interact. energy: -0.004
local terms energy: -57.069474
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -81.413944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413944 (E_RNA)
where:
Base-Base interactions energy: -24.497
where: short stacking energy: -20.037
Base-Backbone interact. energy: -0.151
local terms energy: -56.765755
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.446
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -88.228758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.228758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.228758 (E_RNA)
where:
Base-Base interactions energy: -38.727
where: short stacking energy: -38.727
Base-Backbone interact. energy: -0.307
local terms energy: -49.194802
where:
bonds (distance) C4'-P energy: -6.132
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -69.268032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.268032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.268032 (E_RNA)
where:
Base-Base interactions energy: -18.173
where: short stacking energy: -18.173
Base-Backbone interact. energy: 0.004
local terms energy: -51.099095
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -201.356703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.356703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.356703 (E_RNA)
where:
Base-Base interactions energy: -123.068
where: short stacking energy: -72.504
Base-Backbone interact. energy: -0.003
local terms energy: -78.285790
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -188.036399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.036399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.036399 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.002
local terms energy: -75.167754
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -153.496281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.496281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.496281 (E_RNA)
where:
Base-Base interactions energy: -95.225
where: short stacking energy: -43.554
Base-Backbone interact. energy: -0.732
local terms energy: -57.539324
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -104.002907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.002907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.002907 (E_RNA)
where:
Base-Base interactions energy: -43.075
where: short stacking energy: -41.918
Base-Backbone interact. energy: -0.007
local terms energy: -60.920889
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -8.629
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: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -105.053259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.053259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.053259 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -41.917
Base-Backbone interact. energy: -0.003
local terms energy: -63.042511
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -9.346
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: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -122.197795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.197795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.197795 (E_RNA)
where:
Base-Base interactions energy: -69.242
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.475
local terms energy: -52.481386
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -96.878180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878180 (E_RNA)
where:
Base-Base interactions energy: -50.642
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.151
local terms energy: -46.084812
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -93.081691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081691 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.042
local terms energy: -51.044676
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.782
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: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -79.716368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.716368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.716368 (E_RNA)
where:
Base-Base interactions energy: -26.632
where: short stacking energy: -20.489
Base-Backbone interact. energy: -0.226
local terms energy: -52.858599
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -82.280931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.280931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.280931 (E_RNA)
where:
Base-Base interactions energy: -32.183
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.220
local terms energy: -49.877296
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -194.502553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.502553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.502553 (E_RNA)
where:
Base-Base interactions energy: -112.102
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.003
local terms energy: -82.397284
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -192.214435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.214435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.214435 (E_RNA)
where:
Base-Base interactions energy: -117.321
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.001
local terms energy: -74.892165
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -162.638515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.638515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.638515 (E_RNA)
where:
Base-Base interactions energy: -92.540
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.228
local terms energy: -69.869657
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -109.771454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.771454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.771454 (E_RNA)
where:
Base-Base interactions energy: -53.780
where: short stacking energy: -42.483
Base-Backbone interact. energy: -0.587
local terms energy: -55.404376
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -10.576
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: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -111.513185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.513185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.513185 (E_RNA)
where:
Base-Base interactions energy: -53.521
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.553
local terms energy: -57.439905
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -106.619295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.619295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.619295 (E_RNA)
where:
Base-Base interactions energy: -57.178
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.153
local terms energy: -49.288444
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.394
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: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -98.418055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.418055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.418055 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.274
local terms energy: -53.301079
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -87.540867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.540867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.540867 (E_RNA)
where:
Base-Base interactions energy: -47.132
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.191
local terms energy: -40.217626
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -6.836
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: 28
Temperature: 1.300000
Total energy: -77.038218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.038218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.038218 (E_RNA)
where:
Base-Base interactions energy: -25.459
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.408
local terms energy: -51.171078
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -9.690
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: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.517014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517014 (E_RNA)
where:
Base-Base interactions energy: -25.287
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.005
local terms energy: -52.224861
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.363
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: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -189.605003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605003 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.009
local terms energy: -78.084871
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -21.692
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -197.105319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.105319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.105319 (E_RNA)
where:
Base-Base interactions energy: -120.100
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.004
local terms energy: -77.001065
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -19.267
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -184.206962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.206962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.206962 (E_RNA)
where:
Base-Base interactions energy: -109.620
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.010
local terms energy: -74.576496
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -12.137
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: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -131.775706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.775706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.775706 (E_RNA)
where:
Base-Base interactions energy: -66.386
where: short stacking energy: -43.359
Base-Backbone interact. energy: -1.799
local terms energy: -63.589835
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -99.543337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.543337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.543337 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -41.175
Base-Backbone interact. energy: -0.085
local terms energy: -55.782636
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.304
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: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -91.428162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.428162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428162 (E_RNA)
where:
Base-Base interactions energy: -45.330
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.381
local terms energy: -45.716962
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -89.503048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503048 (E_RNA)
where:
Base-Base interactions energy: -38.351
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.048
local terms energy: -51.104832
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -6.025
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -7.032
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: 29
Temperature: 1.250000
Total energy: -87.556815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.556815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.556815 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.110
local terms energy: -49.064805
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -84.118385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118385 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.563
local terms energy: -45.486855
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -2.172
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: 29
Temperature: 1.350000
Total energy: -71.287812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.287812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.287812 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -27.115
Base-Backbone interact. energy: 0.495
local terms energy: -41.903815
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -3.723
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: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -204.157153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.157153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.157153 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -65.964
Base-Backbone interact. energy: -0.100
local terms energy: -81.827893
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.703
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: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -197.122833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.122833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.122833 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.201
local terms energy: -78.890789
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -178.932701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.932701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.932701 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.100
local terms energy: -70.572906
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -12.285
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: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -113.595849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.595849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.595849 (E_RNA)
where:
Base-Base interactions energy: -52.134
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.138
local terms energy: -61.323159
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -110.950335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.950335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.950335 (E_RNA)
where:
Base-Base interactions energy: -52.459
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.253
local terms energy: -58.237865
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -97.746569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.746569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.746569 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.921
local terms energy: -60.306879
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -2.802
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -92.142408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.142408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.142408 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.168
local terms energy: -58.358768
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -80.876455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876455 (E_RNA)
where:
Base-Base interactions energy: -23.132
where: short stacking energy: -19.797
Base-Backbone interact. energy: -0.760
local terms energy: -56.984401
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -3.125
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: 30
Temperature: 1.300000
Total energy: -93.783159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.783159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.783159 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -23.592
Base-Backbone interact. energy: 0.958
local terms energy: -57.326485
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -69.517960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.517960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.517960 (E_RNA)
where:
Base-Base interactions energy: -18.421
where: short stacking energy: -18.421
Base-Backbone interact. energy: -0.103
local terms energy: -50.993144
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -201.050807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.050807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.050807 (E_RNA)
where:
Base-Base interactions energy: -123.634
where: short stacking energy: -74.828
Base-Backbone interact. energy: 0.171
local terms energy: -77.587822
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -198.565075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.565075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.565075 (E_RNA)
where:
Base-Base interactions energy: -127.979
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.226
local terms energy: -70.360462
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -144.321001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.321001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.321001 (E_RNA)
where:
Base-Base interactions energy: -80.680
where: short stacking energy: -42.382
Base-Backbone interact. energy: -0.073
local terms energy: -63.568310
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -11.363
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: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -114.985671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.985671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.985671 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.209
local terms energy: -60.300199
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -5.811
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: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -120.527773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.527773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.527773 (E_RNA)
where:
Base-Base interactions energy: -66.421
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.126
local terms energy: -53.980533
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -90.429537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429537 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -31.816
Base-Backbone interact. energy: -0.250
local terms energy: -57.209738
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -96.521757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.521757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.521757 (E_RNA)
where:
Base-Base interactions energy: -45.004
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.013
local terms energy: -51.505219
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -5.850
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -93.103859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.103859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.103859 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.139
local terms energy: -57.172761
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -5.064
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: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -94.633783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633783 (E_RNA)
where:
Base-Base interactions energy: -43.894
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.132
local terms energy: -50.607790
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.465
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -79.907426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.907426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.907426 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.213
local terms energy: -50.547178
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -4.526
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: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -195.592247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.592247 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.122
local terms energy: -72.708639
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.071
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -205.170891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170891 (E_RNA)
where:
Base-Base interactions energy: -128.338
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.049
local terms energy: -76.784615
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -160.999850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.999850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.999850 (E_RNA)
where:
Base-Base interactions energy: -90.303
where: short stacking energy: -47.102
Base-Backbone interact. energy: -0.173
local terms energy: -70.523448
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -115.330756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.330756 (E_RNA)
where:
Base-Base interactions energy: -56.363
where: short stacking energy: -41.159
Base-Backbone interact. energy: -0.464
local terms energy: -58.503507
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.940
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: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -99.106669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.106669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.106669 (E_RNA)
where:
Base-Base interactions energy: -39.306
where: short stacking energy: -32.137
Base-Backbone interact. energy: -0.003
local terms energy: -59.796764
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -127.647484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.647484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.647484 (E_RNA)
where:
Base-Base interactions energy: -68.350
where: short stacking energy: -43.559
Base-Backbone interact. energy: -0.023
local terms energy: -59.274383
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -6.353
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: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -91.060247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.060247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.060247 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.313
local terms energy: -53.627114
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -88.290189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.290189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.290189 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.064
local terms energy: -53.447633
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -76.994246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.994246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.994246 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -17.659
Base-Backbone interact. energy: -0.139
local terms energy: -47.224368
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -75.352989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.352989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.352989 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.205
local terms energy: -38.304400
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -1.821
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -197.586292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.586292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.586292 (E_RNA)
where:
Base-Base interactions energy: -122.556
where: short stacking energy: -63.948
Base-Backbone interact. energy: -0.256
local terms energy: -74.773739
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -8.128
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: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -198.793935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.793935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.793935 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.580
local terms energy: -75.283333
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.739
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: 33
Temperature: 1.000000
Total energy: -143.262691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.262691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.262691 (E_RNA)
where:
Base-Base interactions energy: -85.371
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.190
local terms energy: -57.701906
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -117.820584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.820584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.820584 (E_RNA)
where:
Base-Base interactions energy: -55.784
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.020
local terms energy: -62.017089
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -103.895044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.895044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.895044 (E_RNA)
where:
Base-Base interactions energy: -43.122
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.118
local terms energy: -60.655415
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -105.873227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873227 (E_RNA)
where:
Base-Base interactions energy: -48.251
where: short stacking energy: -46.775
Base-Backbone interact. energy: -0.135
local terms energy: -57.487559
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -6.481
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: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -93.947132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.947132 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.258
local terms energy: -50.516775
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -6.783
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: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -87.804354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.804354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.804354 (E_RNA)
where:
Base-Base interactions energy: -31.311
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.141
local terms energy: -56.353140
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -91.221738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221738 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -29.534
Base-Backbone interact. energy: -0.018
local terms energy: -56.645297
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -7.307
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: 33
Temperature: 1.350000
Total energy: -74.339840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.339840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.339840 (E_RNA)
where:
Base-Base interactions energy: -29.276
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.032
local terms energy: -45.031872
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -193.340916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.340916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.340916 (E_RNA)
where:
Base-Base interactions energy: -119.195
where: short stacking energy: -63.950
Base-Backbone interact. energy: 0.864
local terms energy: -75.009351
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -12.773
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -187.978110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.978110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.978110 (E_RNA)
where:
Base-Base interactions energy: -113.868
where: short stacking energy: -60.300
Base-Backbone interact. energy: -1.240
local terms energy: -72.870555
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.461
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -138.786062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.786062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.786062 (E_RNA)
where:
Base-Base interactions energy: -74.158
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.334
local terms energy: -64.294043
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -13.266
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: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -129.985160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.985160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.985160 (E_RNA)
where:
Base-Base interactions energy: -63.568
where: short stacking energy: -44.220
Base-Backbone interact. energy: 0.399
local terms energy: -66.816101
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -12.635
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: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -111.356609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.356609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.356609 (E_RNA)
where:
Base-Base interactions energy: -51.841
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.214
local terms energy: -59.301469
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -113.219009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.219009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.219009 (E_RNA)
where:
Base-Base interactions energy: -59.038
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.414
local terms energy: -53.766261
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -91.756694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.756694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.756694 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.181
local terms energy: -59.405500
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -94.000547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000547 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.389
local terms energy: -51.169170
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -76.566539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.566539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.566539 (E_RNA)
where:
Base-Base interactions energy: -25.216
where: short stacking energy: -24.454
Base-Backbone interact. energy: -0.532
local terms energy: -50.818588
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -7.702
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: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -78.011495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.011495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.011495 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -23.225
Base-Backbone interact. energy: 1.005
local terms energy: -48.172203
where:
bonds (distance) C4'-P energy: -6.021
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -197.776947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.776947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.776947 (E_RNA)
where:
Base-Base interactions energy: -123.010
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.071
local terms energy: -74.695613
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -181.791279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.791279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.791279 (E_RNA)
where:
Base-Base interactions energy: -115.643
where: short stacking energy: -48.936
Base-Backbone interact. energy: -0.014
local terms energy: -66.134176
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -151.330762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.330762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.330762 (E_RNA)
where:
Base-Base interactions energy: -85.764
where: short stacking energy: -55.637
Base-Backbone interact. energy: -0.084
local terms energy: -65.483036
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -14.965
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: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -151.545776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.545776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.545776 (E_RNA)
where:
Base-Base interactions energy: -96.008
where: short stacking energy: -35.501
Base-Backbone interact. energy: -0.294
local terms energy: -55.243776
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -102.883051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883051 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -38.321
Base-Backbone interact. energy: -0.032
local terms energy: -65.229887
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -103.382502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.382502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.382502 (E_RNA)
where:
Base-Base interactions energy: -48.644
where: short stacking energy: -32.132
Base-Backbone interact. energy: -1.338
local terms energy: -53.400692
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -89.962391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962391 (E_RNA)
where:
Base-Base interactions energy: -40.299
where: short stacking energy: -31.709
Base-Backbone interact. energy: -0.041
local terms energy: -49.622003
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -3.748
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: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -89.127891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127891 (E_RNA)
where:
Base-Base interactions energy: -28.625
where: short stacking energy: -28.625
Base-Backbone interact. energy: -0.077
local terms energy: -60.426510
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.586
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: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -81.678079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.678079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.678079 (E_RNA)
where:
Base-Base interactions energy: -25.739
where: short stacking energy: -25.739
Base-Backbone interact. energy: -0.034
local terms energy: -55.905402
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -80.825183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825183 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -21.293
Base-Backbone interact. energy: -0.178
local terms energy: -49.806363
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -197.454190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.454190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.454190 (E_RNA)
where:
Base-Base interactions energy: -121.821
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.289
local terms energy: -75.343846
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.040
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: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -192.481707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.481707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.481707 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.062
local terms energy: -79.488124
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -17.792
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: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -138.243244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.243244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.243244 (E_RNA)
where:
Base-Base interactions energy: -80.255
where: short stacking energy: -26.893
Base-Backbone interact. energy: -1.008
local terms energy: -56.979438
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -138.656155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.656155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.656155 (E_RNA)
where:
Base-Base interactions energy: -74.552
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.154
local terms energy: -63.950177
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -11.727
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: 36
Temperature: 1.100000
Total energy: -107.554901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.554901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.554901 (E_RNA)
where:
Base-Base interactions energy: -52.557
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.466
local terms energy: -54.531866
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -110.185858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.185858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.185858 (E_RNA)
where:
Base-Base interactions energy: -53.334
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.132
local terms energy: -56.719778
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -91.024773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024773 (E_RNA)
where:
Base-Base interactions energy: -40.269
where: short stacking energy: -24.915
Base-Backbone interact. energy: 1.093
local terms energy: -51.849053
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -80.662664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.662664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.662664 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -23.643
Base-Backbone interact. energy: -0.414
local terms energy: -50.385128
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -89.726895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.726895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.726895 (E_RNA)
where:
Base-Base interactions energy: -36.050
where: short stacking energy: -29.545
Base-Backbone interact. energy: -0.047
local terms energy: -53.629614
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.738
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: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -79.235458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235458 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -24.696
Base-Backbone interact. energy: -0.026
local terms energy: -44.181449
where:
bonds (distance) C4'-P energy: -5.929
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.099
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: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -200.818500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.818500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.818500 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.300
local terms energy: -80.167572
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -191.198074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.198074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.198074 (E_RNA)
where:
Base-Base interactions energy: -118.157
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.383
local terms energy: -72.658933
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -116.262112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.262112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.262112 (E_RNA)
where:
Base-Base interactions energy: -55.017
where: short stacking energy: -50.138
Base-Backbone interact. energy: -0.024
local terms energy: -61.221871
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -9.567
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: 37
Temperature: 1.050000
Total energy: -126.313289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.313289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.313289 (E_RNA)
where:
Base-Base interactions energy: -60.210
where: short stacking energy: -41.131
Base-Backbone interact. energy: -0.068
local terms energy: -66.036247
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -13.735
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: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -95.338890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.338890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.338890 (E_RNA)
where:
Base-Base interactions energy: -47.346
where: short stacking energy: -32.108
Base-Backbone interact. energy: 0.066
local terms energy: -48.058833
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -98.538104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.538104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.538104 (E_RNA)
where:
Base-Base interactions energy: -44.695
where: short stacking energy: -44.695
Base-Backbone interact. energy: 0.476
local terms energy: -54.318475
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -95.303457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303457 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -32.372
Base-Backbone interact. energy: -0.002
local terms energy: -57.325140
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -90.375008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375008 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.111
local terms energy: -55.171383
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -5.393
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: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -77.369620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.369620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.369620 (E_RNA)
where:
Base-Base interactions energy: -29.144
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.068
local terms energy: -48.157454
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.509
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: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -95.652830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652830 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.066
local terms energy: -54.394619
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -187.925310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.925310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.925310 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.154
local terms energy: -76.020342
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -199.150218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.150218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.150218 (E_RNA)
where:
Base-Base interactions energy: -121.444
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.009
local terms energy: -77.697392
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -18.838
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -150.386105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.386105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.386105 (E_RNA)
where:
Base-Base interactions energy: -85.987
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.953
local terms energy: -63.445971
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.481
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: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -105.350394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.350394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.350394 (E_RNA)
where:
Base-Base interactions energy: -49.657
where: short stacking energy: -32.364
Base-Backbone interact. energy: -1.100
local terms energy: -54.594002
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -104.005646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.005646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.005646 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.694
local terms energy: -59.576099
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -7.568
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: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -104.772246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772246 (E_RNA)
where:
Base-Base interactions energy: -46.522
where: short stacking energy: -46.522
Base-Backbone interact. energy: -0.252
local terms energy: -57.998162
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -94.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.684137 (E_RNA)
where:
Base-Base interactions energy: -40.903
where: short stacking energy: -40.903
Base-Backbone interact. energy: -0.149
local terms energy: -53.632339
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.105
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: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -81.316070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.316070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.316070 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.152
local terms energy: -52.179946
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -3.601
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -93.370841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370841 (E_RNA)
where:
Base-Base interactions energy: -42.246
where: short stacking energy: -33.209
Base-Backbone interact. energy: -0.087
local terms energy: -51.037227
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -74.083570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.083570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.083570 (E_RNA)
where:
Base-Base interactions energy: -23.810
where: short stacking energy: -23.810
Base-Backbone interact. energy: -0.033
local terms energy: -50.240292
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -197.961651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.961651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.961651 (E_RNA)
where:
Base-Base interactions energy: -119.554
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.030
local terms energy: -78.377717
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -199.788850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.788850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.788850 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.497
local terms energy: -78.185623
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -146.412834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.412834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.412834 (E_RNA)
where:
Base-Base interactions energy: -84.907
where: short stacking energy: -45.070
Base-Backbone interact. energy: 0.026
local terms energy: -61.532111
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -109.509388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.509388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.509388 (E_RNA)
where:
Base-Base interactions energy: -53.743
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.335
local terms energy: -55.431210
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -98.851557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851557 (E_RNA)
where:
Base-Base interactions energy: -48.841
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.083
local terms energy: -49.926961
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -100.508410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.508410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.508410 (E_RNA)
where:
Base-Base interactions energy: -43.446
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.206
local terms energy: -56.856798
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -99.601616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.601616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.601616 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.081
local terms energy: -60.406130
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.946
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -94.973651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.973651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.973651 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.104
local terms energy: -49.423151
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -78.406488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406488 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -25.999
Base-Backbone interact. energy: 0.636
local terms energy: -47.965046
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -86.533237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533237 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -29.396
Base-Backbone interact. energy: -0.115
local terms energy: -56.381068
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -9.015
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: 40
Temperature: 0.900000
Total energy: -202.964597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.964597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.964597 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -74.889
Base-Backbone interact. energy: -0.011
local terms energy: -83.599464
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -195.269149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.269149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.269149 (E_RNA)
where:
Base-Base interactions energy: -118.608
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.036
local terms energy: -76.625387
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.872
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: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -107.236803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.236803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.236803 (E_RNA)
where:
Base-Base interactions energy: -47.934
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.285
local terms energy: -59.018480
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -144.543288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543288 (E_RNA)
where:
Base-Base interactions energy: -88.432
where: short stacking energy: -40.397
Base-Backbone interact. energy: -0.256
local terms energy: -55.855870
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -116.700450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.700450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.700450 (E_RNA)
where:
Base-Base interactions energy: -59.658
where: short stacking energy: -35.760
Base-Backbone interact. energy: -0.963
local terms energy: -56.079176
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -98.187755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.187755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.187755 (E_RNA)
where:
Base-Base interactions energy: -49.261
where: short stacking energy: -34.704
Base-Backbone interact. energy: 2.722
local terms energy: -51.648461
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -112.761193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.761193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.761193 (E_RNA)
where:
Base-Base interactions energy: -52.804
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.107
local terms energy: -59.850008
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -7.278
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -84.415760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.415760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.415760 (E_RNA)
where:
Base-Base interactions energy: -23.578
where: short stacking energy: -23.578
Base-Backbone interact. energy: -0.035
local terms energy: -60.802846
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.521614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.521614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.521614 (E_RNA)
where:
Base-Base interactions energy: -27.117
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.053
local terms energy: -54.350922
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -82.623050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.623050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.623050 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.181
local terms energy: -53.518713
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -196.023532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.023532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.023532 (E_RNA)
where:
Base-Base interactions energy: -122.096
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.872
local terms energy: -73.056236
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -197.814473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.814473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.814473 (E_RNA)
where:
Base-Base interactions energy: -122.687
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.001
local terms energy: -75.126587
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -137.904834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.904834 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -47.723
Base-Backbone interact. energy: -0.100
local terms energy: -60.499766
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -9.952
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -144.892494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.892494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.892494 (E_RNA)
where:
Base-Base interactions energy: -84.015
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.791
local terms energy: -60.086556
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -123.395169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.395169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.395169 (E_RNA)
where:
Base-Base interactions energy: -68.025
where: short stacking energy: -49.700
Base-Backbone interact. energy: -0.257
local terms energy: -55.113811
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -103.697331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.697331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.697331 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -38.507
Base-Backbone interact. energy: -0.007
local terms energy: -64.380567
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -6.242
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -100.647498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.647498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.647498 (E_RNA)
where:
Base-Base interactions energy: -47.024
where: short stacking energy: -47.024
Base-Backbone interact. energy: -0.001
local terms energy: -53.622289
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -84.953088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.953088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.953088 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -26.159
Base-Backbone interact. energy: -0.216
local terms energy: -43.162966
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -6.185
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -87.916969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.916969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.916969 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -38.905
Base-Backbone interact. energy: -0.021
local terms energy: -47.424190
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -9.207
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: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -89.280370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280370 (E_RNA)
where:
Base-Base interactions energy: -35.053
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.432
local terms energy: -53.795311
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -191.967591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.967591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.967591 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.045
local terms energy: -74.522329
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -190.533888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.533888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.533888 (E_RNA)
where:
Base-Base interactions energy: -115.920
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.039
local terms energy: -74.575520
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -131.525638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.525638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.525638 (E_RNA)
where:
Base-Base interactions energy: -71.157
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.295
local terms energy: -60.073665
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -146.913893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.913893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.913893 (E_RNA)
where:
Base-Base interactions energy: -86.573
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.022
local terms energy: -60.319471
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -7.432
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: 42
Temperature: 1.100000
Total energy: -107.299185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.299185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.299185 (E_RNA)
where:
Base-Base interactions energy: -52.435
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.068
local terms energy: -54.795356
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.773
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -109.362099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.362099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.362099 (E_RNA)
where:
Base-Base interactions energy: -48.749
where: short stacking energy: -30.332
Base-Backbone interact. energy: 0.174
local terms energy: -60.787640
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -90.477242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.477242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.477242 (E_RNA)
where:
Base-Base interactions energy: -41.251
where: short stacking energy: -24.762
Base-Backbone interact. energy: -0.085
local terms energy: -49.141025
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -94.397236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.397236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.397236 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.081
local terms energy: -59.715592
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -97.517856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.517856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.517856 (E_RNA)
where:
Base-Base interactions energy: -38.895
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.343
local terms energy: -58.279748
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.120
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -83.095184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095184 (E_RNA)
where:
Base-Base interactions energy: -35.596
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.067
local terms energy: -47.432067
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -3.510
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -4.896
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: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -190.428943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.428943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.428943 (E_RNA)
where:
Base-Base interactions energy: -114.017
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.001
local terms energy: -76.410356
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -11.586
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: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -193.504099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.504099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.504099 (E_RNA)
where:
Base-Base interactions energy: -115.550
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.031
local terms energy: -77.923086
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -19.254
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -119.343195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343195 (E_RNA)
where:
Base-Base interactions energy: -60.657
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.136
local terms energy: -58.549742
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -131.073700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.073700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.073700 (E_RNA)
where:
Base-Base interactions energy: -67.725
where: short stacking energy: -57.755
Base-Backbone interact. energy: -0.542
local terms energy: -62.806233
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -103.665434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.665434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.665434 (E_RNA)
where:
Base-Base interactions energy: -47.837
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.391
local terms energy: -55.437026
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -101.920843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.920843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.920843 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -31.315
Base-Backbone interact. energy: -0.221
local terms energy: -56.334167
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -2.490
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -94.607881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.607881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.607881 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -36.634
Base-Backbone interact. energy: 1.212
local terms energy: -59.185428
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.503
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: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -91.795023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795023 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -28.018
Base-Backbone interact. energy: -0.576
local terms energy: -49.182940
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -76.445645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.445645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.445645 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -28.004
Base-Backbone interact. energy: -0.397
local terms energy: -48.044233
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.883078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.883078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.883078 (E_RNA)
where:
Base-Base interactions energy: -24.088
where: short stacking energy: -24.088
Base-Backbone interact. energy: 1.818
local terms energy: -56.612502
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -206.691687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.691687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.691687 (E_RNA)
where:
Base-Base interactions energy: -128.159
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.037
local terms energy: -78.495552
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -187.415287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.415287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.415287 (E_RNA)
where:
Base-Base interactions energy: -113.113
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.452
local terms energy: -73.850231
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -17.116
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: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -124.194542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.194542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.194542 (E_RNA)
where:
Base-Base interactions energy: -67.037
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.741
local terms energy: -56.416547
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -112.024567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.024567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.024567 (E_RNA)
where:
Base-Base interactions energy: -47.798
where: short stacking energy: -47.798
Base-Backbone interact. energy: -0.060
local terms energy: -64.167355
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -15.105
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: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -110.881316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.881316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.881316 (E_RNA)
where:
Base-Base interactions energy: -42.259
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.012
local terms energy: -68.609640
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -88.613142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.613142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.613142 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.127
local terms energy: -61.265346
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -96.475186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.475186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.475186 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.189
local terms energy: -50.753469
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -82.002496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.002496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.002496 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.831
local terms energy: -49.874367
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -77.688005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.688005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.688005 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -25.902
Base-Backbone interact. energy: 0.588
local terms energy: -43.113643
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -9.218
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.765078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765078 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -32.823
Base-Backbone interact. energy: -1.079
local terms energy: -42.852727
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -0.767
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -201.169975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.169975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.169975 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -73.619
Base-Backbone interact. energy: -0.001
local terms energy: -77.178878
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -183.155044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.155044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.155044 (E_RNA)
where:
Base-Base interactions energy: -105.242
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.414
local terms energy: -77.499480
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -124.893002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.893002 (E_RNA)
where:
Base-Base interactions energy: -62.612
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.106
local terms energy: -62.174541
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -147.105904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.105904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.105904 (E_RNA)
where:
Base-Base interactions energy: -76.125
where: short stacking energy: -44.103
Base-Backbone interact. energy: -0.010
local terms energy: -70.971109
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -108.964679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.964679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.964679 (E_RNA)
where:
Base-Base interactions energy: -51.521
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.098
local terms energy: -57.345094
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -99.681209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.681209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.681209 (E_RNA)
where:
Base-Base interactions energy: -54.077
where: short stacking energy: -34.614
Base-Backbone interact. energy: -0.195
local terms energy: -45.409199
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -95.906899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.906899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.906899 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.075
local terms energy: -58.984917
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -3.652
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -91.895744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.895744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.895744 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.309
local terms energy: -49.971083
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.536
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: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -98.236099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.236099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.236099 (E_RNA)
where:
Base-Base interactions energy: -46.890
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.017
local terms energy: -51.329555
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -12.143
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: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -81.480065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480065 (E_RNA)
where:
Base-Base interactions energy: -23.998
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.021
local terms energy: -57.461101
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.960
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: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -192.259340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.259340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.259340 (E_RNA)
where:
Base-Base interactions energy: -120.019
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.006
local terms energy: -72.234535
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -17.356
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: 46
Temperature: 0.950000
Total energy: -195.634138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.634138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.634138 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.004
local terms energy: -78.177863
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -157.735765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.735765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.735765 (E_RNA)
where:
Base-Base interactions energy: -93.147
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.002
local terms energy: -64.586330
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -5.088
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: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -111.574245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.574245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.574245 (E_RNA)
where:
Base-Base interactions energy: -49.545
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.262
local terms energy: -61.767052
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.678
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: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -109.544855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.544855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.544855 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.151
local terms energy: -65.778212
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -105.719641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.719641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.719641 (E_RNA)
where:
Base-Base interactions energy: -49.229
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.713
local terms energy: -55.778047
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -95.255807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.255807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.255807 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -34.846
Base-Backbone interact. energy: -0.161
local terms energy: -51.269810
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -7.311
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -75.311584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.311584 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -18.285
Base-Backbone interact. energy: -0.100
local terms energy: -47.291984
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -79.497916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.497916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.497916 (E_RNA)
where:
Base-Base interactions energy: -28.678
where: short stacking energy: -21.930
Base-Backbone interact. energy: -0.254
local terms energy: -50.565294
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -86.739587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739587 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -25.016
Base-Backbone interact. energy: 3.289
local terms energy: -54.575625
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -2.710
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: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -192.389721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.389721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.389721 (E_RNA)
where:
Base-Base interactions energy: -120.554
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.030
local terms energy: -71.805230
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -195.218612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.218612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.218612 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.001
local terms energy: -76.019906
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -166.863720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.863720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.863720 (E_RNA)
where:
Base-Base interactions energy: -104.057
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.027
local terms energy: -62.779461
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -104.507517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.507517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.507517 (E_RNA)
where:
Base-Base interactions energy: -44.329
where: short stacking energy: -43.709
Base-Backbone interact. energy: -0.060
local terms energy: -60.118410
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.104
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: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -104.383675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.383675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.383675 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.027
local terms energy: -70.080190
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -12.284
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: 47
Temperature: 1.150000
Total energy: -97.861876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.861876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.861876 (E_RNA)
where:
Base-Base interactions energy: -45.763
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.009
local terms energy: -52.089137
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -8.881
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -96.335752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.335752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.335752 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -42.659
Base-Backbone interact. energy: -0.294
local terms energy: -49.856569
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -10.628
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: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -84.661700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661700 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.167
local terms energy: -48.543955
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -12.845
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: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -76.708020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708020 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -23.805
Base-Backbone interact. energy: 0.254
local terms energy: -43.827749
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -77.518534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.518534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.518534 (E_RNA)
where:
Base-Base interactions energy: -26.795
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.239
local terms energy: -50.484112
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.502
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -197.594667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.594667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.594667 (E_RNA)
where:
Base-Base interactions energy: -121.878
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.559
local terms energy: -75.158091
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -188.861186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.861186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.861186 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.025
local terms energy: -74.236309
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -169.793273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.793273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.793273 (E_RNA)
where:
Base-Base interactions energy: -104.366
where: short stacking energy: -52.674
Base-Backbone interact. energy: -0.126
local terms energy: -65.301551
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -96.921234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.921234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.921234 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.042
local terms energy: -65.482047
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -103.457553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.457553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.457553 (E_RNA)
where:
Base-Base interactions energy: -40.669
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.040
local terms energy: -62.748850
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -86.189192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189192 (E_RNA)
where:
Base-Base interactions energy: -32.621
where: short stacking energy: -27.106
Base-Backbone interact. energy: -0.710
local terms energy: -52.858579
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -99.837063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.837063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.837063 (E_RNA)
where:
Base-Base interactions energy: -44.726
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.062
local terms energy: -55.049830
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -86.863316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.863316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.863316 (E_RNA)
where:
Base-Base interactions energy: -27.754
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.079
local terms energy: -59.030056
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.531
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: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -72.712193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.712193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.712193 (E_RNA)
where:
Base-Base interactions energy: -27.950
where: short stacking energy: -27.356
Base-Backbone interact. energy: -1.013
local terms energy: -43.749801
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.538717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.538717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.538717 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -14.784
Base-Backbone interact. energy: -0.304
local terms energy: -46.936933
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -203.613219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.613219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.613219 (E_RNA)
where:
Base-Base interactions energy: -122.822
where: short stacking energy: -72.274
Base-Backbone interact. energy: -0.021
local terms energy: -80.770844
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -177.045166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.045166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.045166 (E_RNA)
where:
Base-Base interactions energy: -117.461
where: short stacking energy: -51.236
Base-Backbone interact. energy: 0.289
local terms energy: -59.873774
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -184.617010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617010 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.119
local terms energy: -71.253805
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -121.033319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.033319 (E_RNA)
where:
Base-Base interactions energy: -56.977
where: short stacking energy: -41.225
Base-Backbone interact. energy: 0.530
local terms energy: -64.586352
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -97.106209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.106209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.106209 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.299
local terms energy: -60.975004
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -93.435818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435818 (E_RNA)
where:
Base-Base interactions energy: -31.742
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.147
local terms energy: -61.546902
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.472
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -89.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.149555 (E_RNA)
where:
Base-Base interactions energy: -39.506
where: short stacking energy: -34.821
Base-Backbone interact. energy: 0.085
local terms energy: -49.729295
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -95.639660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.639660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.639660 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -37.584
Base-Backbone interact. energy: -0.019
local terms energy: -58.236911
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -80.676948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.676948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.676948 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.249
local terms energy: -40.930654
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -70.092835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.092835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.092835 (E_RNA)
where:
Base-Base interactions energy: -35.845
where: short stacking energy: -29.976
Base-Backbone interact. energy: 2.967
local terms energy: -37.214242
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -3.508
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: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -197.355897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.355897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.355897 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.023
local terms energy: -81.272995
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -13.342
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: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -176.065668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065668 (E_RNA)
where:
Base-Base interactions energy: -110.060
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.087
local terms energy: -65.918382
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -188.986277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.986277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.986277 (E_RNA)
where:
Base-Base interactions energy: -113.409
where: short stacking energy: -68.208
Base-Backbone interact. energy: -0.004
local terms energy: -75.573227
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -107.737768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.737768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.737768 (E_RNA)
where:
Base-Base interactions energy: -41.654
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.073
local terms energy: -66.010954
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -97.665883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.665883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.665883 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.066
local terms energy: -59.388619
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.137
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -91.724034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724034 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.666
local terms energy: -55.480540
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -3.916
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: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -84.416049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.416049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.416049 (E_RNA)
where:
Base-Base interactions energy: -31.402
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.178
local terms energy: -52.835677
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -5.516
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -92.305222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.305222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.305222 (E_RNA)
where:
Base-Base interactions energy: -47.684
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.054
local terms energy: -44.567080
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -3.601
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -79.127070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127070 (E_RNA)
where:
Base-Base interactions energy: -30.265
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.141
local terms energy: -48.720931
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -83.291304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291304 (E_RNA)
where:
Base-Base interactions energy: -25.319
where: short stacking energy: -25.319
Base-Backbone interact. energy: -0.073
local terms energy: -57.899787
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -202.052747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.052747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.052747 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -69.551
Base-Backbone interact. energy: 0.464
local terms energy: -78.891657
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -21.000
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: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -204.229803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.229803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.229803 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.018
local terms energy: -81.982011
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -20.916
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: 51
Temperature: 1.000000
Total energy: -161.641045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.641045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.641045 (E_RNA)
where:
Base-Base interactions energy: -100.447
where: short stacking energy: -56.333
Base-Backbone interact. energy: 0.306
local terms energy: -61.500538
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -108.022234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.022234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.022234 (E_RNA)
where:
Base-Base interactions energy: -46.723
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.206
local terms energy: -61.093375
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.474
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: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -106.201732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201732 (E_RNA)
where:
Base-Base interactions energy: -49.788
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.221
local terms energy: -56.193022
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -109.354856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.354856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.354856 (E_RNA)
where:
Base-Base interactions energy: -49.774
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.017
local terms energy: -59.564250
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -10.482
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: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -89.291396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291396 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.436
local terms energy: -55.836001
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -87.317855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317855 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -36.816
Base-Backbone interact. energy: 1.747
local terms energy: -52.249179
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -78.356269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.356269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.356269 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -26.422
Base-Backbone interact. energy: -0.044
local terms energy: -51.890725
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -74.945479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.945479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.945479 (E_RNA)
where:
Base-Base interactions energy: -31.608
where: short stacking energy: -15.505
Base-Backbone interact. energy: 0.295
local terms energy: -43.632597
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -197.984849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.984849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.984849 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.051
local terms energy: -79.403758
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -202.009416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.009416 (E_RNA)
where:
Base-Base interactions energy: -125.475
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.342
local terms energy: -76.193105
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.782
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -178.693550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693550 (E_RNA)
where:
Base-Base interactions energy: -106.174
where: short stacking energy: -63.049
Base-Backbone interact. energy: 1.645
local terms energy: -74.164124
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -115.113959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.113959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.113959 (E_RNA)
where:
Base-Base interactions energy: -54.951
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.001
local terms energy: -60.161166
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -8.530
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: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -101.428827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.428827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.428827 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.009
local terms energy: -59.411960
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.988
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: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -104.326278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.326278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.326278 (E_RNA)
where:
Base-Base interactions energy: -46.086
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.023
local terms energy: -58.217162
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -108.454509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.454509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.454509 (E_RNA)
where:
Base-Base interactions energy: -51.708
where: short stacking energy: -50.079
Base-Backbone interact. energy: 0.011
local terms energy: -56.758025
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -90.213696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213696 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -32.492
Base-Backbone interact. energy: 1.292
local terms energy: -49.535391
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -79.907740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.907740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.907740 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.411
local terms energy: -45.297577
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -4.464
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: 52
Temperature: 1.350000
Total energy: -95.607467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.607467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.607467 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.419
local terms energy: -53.628344
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.111
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: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -195.690188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690188 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.001
local terms energy: -78.185606
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -198.296890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296890 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -63.408
Base-Backbone interact. energy: 0.855
local terms energy: -72.463562
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -16.188
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -178.629856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.629856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.629856 (E_RNA)
where:
Base-Base interactions energy: -107.861
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.081
local terms energy: -70.687856
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -110.774951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.774951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.774951 (E_RNA)
where:
Base-Base interactions energy: -51.729
where: short stacking energy: -44.966
Base-Backbone interact. energy: 1.195
local terms energy: -60.241745
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.546
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: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -115.576930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.576930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.576930 (E_RNA)
where:
Base-Base interactions energy: -56.042
where: short stacking energy: -39.143
Base-Backbone interact. energy: -0.104
local terms energy: -59.430930
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -94.273239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.273239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.273239 (E_RNA)
where:
Base-Base interactions energy: -41.387
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.624
local terms energy: -52.262251
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -92.535554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535554 (E_RNA)
where:
Base-Base interactions energy: -40.150
where: short stacking energy: -26.741
Base-Backbone interact. energy: -1.013
local terms energy: -51.372580
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -84.214483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214483 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -25.657
Base-Backbone interact. energy: 0.049
local terms energy: -52.034125
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -80.337917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.337917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.337917 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.162
local terms energy: -47.144062
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.305552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.305552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.305552 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.178
local terms energy: -43.541948
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: 3.856
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: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -203.157159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.157159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.157159 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -73.801
Base-Backbone interact. energy: 0.436
local terms energy: -78.695586
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -198.184261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.184261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.184261 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -75.687
Base-Backbone interact. energy: 0.349
local terms energy: -80.391315
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -169.804096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.804096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.804096 (E_RNA)
where:
Base-Base interactions energy: -101.834
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.003
local terms energy: -67.966722
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -98.924074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924074 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.159
local terms energy: -60.074850
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -112.593419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.593419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.593419 (E_RNA)
where:
Base-Base interactions energy: -55.247
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.538
local terms energy: -56.808131
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -95.985790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.985790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.985790 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.194
local terms energy: -59.501409
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -7.103
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: 54
Temperature: 1.200000
Total energy: -90.941984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.941984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.941984 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.004
local terms energy: -61.558943
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -8.195
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: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -96.118097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.118097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.118097 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.116
local terms energy: -60.783113
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -97.658033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.658033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.658033 (E_RNA)
where:
Base-Base interactions energy: -52.384
where: short stacking energy: -17.662
Base-Backbone interact. energy: 0.916
local terms energy: -46.190010
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -5.154
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: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.626241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.626241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.626241 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.403
local terms energy: -44.781352
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -198.914566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.914566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.914566 (E_RNA)
where:
Base-Base interactions energy: -117.703
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.070
local terms energy: -81.142251
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -22.252
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -176.740975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.740975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.740975 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.047
local terms energy: -70.222446
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.612
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: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -182.775569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.775569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.775569 (E_RNA)
where:
Base-Base interactions energy: -111.237
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.056
local terms energy: -71.482165
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -111.824893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.824893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.824893 (E_RNA)
where:
Base-Base interactions energy: -55.677
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.048
local terms energy: -56.100358
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -113.296318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.296318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.296318 (E_RNA)
where:
Base-Base interactions energy: -59.708
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.536
local terms energy: -53.052262
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -103.131414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.131414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.131414 (E_RNA)
where:
Base-Base interactions energy: -39.558
where: short stacking energy: -40.358
Base-Backbone interact. energy: -0.020
local terms energy: -63.553421
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.333
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: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -88.374861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374861 (E_RNA)
where:
Base-Base interactions energy: -47.468
where: short stacking energy: -19.412
Base-Backbone interact. energy: -0.070
local terms energy: -40.836387
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -96.113040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.113040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.113040 (E_RNA)
where:
Base-Base interactions energy: -40.984
where: short stacking energy: -26.687
Base-Backbone interact. energy: -0.096
local terms energy: -55.032345
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -1.786
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: 55
Temperature: 1.300000
Total energy: -80.942938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.942938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.942938 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.899
local terms energy: -56.349750
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.227103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.227103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.227103 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.234
local terms energy: -42.009758
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -190.781527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.781527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.781527 (E_RNA)
where:
Base-Base interactions energy: -113.006
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.089
local terms energy: -77.686581
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -193.920770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920770 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.369
local terms energy: -67.889148
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -15.141
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: 56
Temperature: 1.000000
Total energy: -198.878347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.878347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.878347 (E_RNA)
where:
Base-Base interactions energy: -124.866
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.003
local terms energy: -74.009899
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -7.875
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: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -137.492243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.492243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.492243 (E_RNA)
where:
Base-Base interactions energy: -77.119
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.008
local terms energy: -60.364584
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -114.790893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790893 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.272
local terms energy: -60.259584
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -90.768195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.768195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.768195 (E_RNA)
where:
Base-Base interactions energy: -32.463
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.671
local terms energy: -57.634516
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -8.422
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: 56
Temperature: 1.200000
Total energy: -91.543096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.543096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.543096 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -27.007
Base-Backbone interact. energy: -0.036
local terms energy: -46.026634
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -4.713
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: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -75.656054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.656054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.656054 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -21.660
Base-Backbone interact. energy: 3.584
local terms energy: -53.229373
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -0.171
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: 56
Temperature: 1.300000
Total energy: -74.294051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.294051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.294051 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -28.831
Base-Backbone interact. energy: 0.246
local terms energy: -45.709039
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -4.733
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -72.826725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.826725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.826725 (E_RNA)
where:
Base-Base interactions energy: -24.432
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.249
local terms energy: -48.146277
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -2.943
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: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -191.732106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.732106 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.334
local terms energy: -68.742923
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -189.240335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.240335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.240335 (E_RNA)
where:
Base-Base interactions energy: -113.234
where: short stacking energy: -63.916
Base-Backbone interact. energy: -0.002
local terms energy: -76.004911
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -16.370
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: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -189.325008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.325008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325008 (E_RNA)
where:
Base-Base interactions energy: -113.550
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.592
local terms energy: -75.182895
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -125.045688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.045688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.045688 (E_RNA)
where:
Base-Base interactions energy: -62.165
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.451
local terms energy: -62.430092
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -7.480
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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -136.566284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.566284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.566284 (E_RNA)
where:
Base-Base interactions energy: -74.030
where: short stacking energy: -52.878
Base-Backbone interact. energy: -0.066
local terms energy: -62.470360
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -95.439857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439857 (E_RNA)
where:
Base-Base interactions energy: -40.178
where: short stacking energy: -36.526
Base-Backbone interact. energy: -0.689
local terms energy: -54.573392
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -86.148494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148494 (E_RNA)
where:
Base-Base interactions energy: -25.967
where: short stacking energy: -25.256
Base-Backbone interact. energy: -0.526
local terms energy: -59.655293
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -11.025
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: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -81.951925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.951925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.951925 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.016
local terms energy: -54.068207
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.438
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -82.445372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.445372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.445372 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.143
local terms energy: -46.631327
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -74.914561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914561 (E_RNA)
where:
Base-Base interactions energy: -28.916
where: short stacking energy: -21.427
Base-Backbone interact. energy: -1.538
local terms energy: -44.460847
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -192.225697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.225697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.225697 (E_RNA)
where:
Base-Base interactions energy: -120.825
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.123
local terms energy: -71.277183
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.063
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: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -184.798585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.798585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.798585 (E_RNA)
where:
Base-Base interactions energy: -111.607
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.006
local terms energy: -73.186424
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -194.902229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.902229 (E_RNA)
where:
Base-Base interactions energy: -123.781
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.029
local terms energy: -71.092421
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -113.358023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.358023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.358023 (E_RNA)
where:
Base-Base interactions energy: -48.309
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.393
local terms energy: -64.655197
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -10.048
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: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -100.831450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.831450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.831450 (E_RNA)
where:
Base-Base interactions energy: -44.278
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.109
local terms energy: -56.444390
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.871
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: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -89.565868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.565868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.565868 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -25.099
Base-Backbone interact. energy: 1.985
local terms energy: -63.351102
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -11.897
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: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -91.352037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352037 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.149
local terms energy: -50.135976
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -90.486068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.486068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.486068 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -40.144
Base-Backbone interact. energy: -0.259
local terms energy: -50.082753
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.103446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103446 (E_RNA)
where:
Base-Base interactions energy: -25.949
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.105
local terms energy: -56.049205
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.602394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.602394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.602394 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.153
local terms energy: -49.276146
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -180.214741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.214741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.214741 (E_RNA)
where:
Base-Base interactions energy: -117.325
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.116
local terms energy: -62.773786
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -206.708122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.708122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.708122 (E_RNA)
where:
Base-Base interactions energy: -134.589
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.172
local terms energy: -71.947386
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -189.505408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.505408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.505408 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -70.169
Base-Backbone interact. energy: -1.442
local terms energy: -68.344000
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -128.762824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.762824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.762824 (E_RNA)
where:
Base-Base interactions energy: -62.789
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.150
local terms energy: -65.823610
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -101.093272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.093272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.093272 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.261
local terms energy: -55.482175
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -86.767191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767191 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -33.835
Base-Backbone interact. energy: 1.011
local terms energy: -49.598949
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -0.437
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: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -82.052229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.052229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.052229 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.102
local terms energy: -49.893995
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.554017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554017 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -40.110
Base-Backbone interact. energy: -0.007
local terms energy: -51.413000
where:
bonds (distance) C4'-P energy: -4.208
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -86.294087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.294087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.294087 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -28.480
Base-Backbone interact. energy: 2.394
local terms energy: -53.525559
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -9.651
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: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.562203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562203 (E_RNA)
where:
Base-Base interactions energy: -33.767
where: short stacking energy: -23.192
Base-Backbone interact. energy: -0.170
local terms energy: -45.625050
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: 2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -205.269405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.269405 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -75.697
Base-Backbone interact. energy: 0.445
local terms energy: -81.175575
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -174.562985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.562985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.562985 (E_RNA)
where:
Base-Base interactions energy: -107.049
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.799
local terms energy: -66.715680
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -193.908586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.908586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.908586 (E_RNA)
where:
Base-Base interactions energy: -121.462
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.004
local terms energy: -72.442454
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -104.111834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.111834 (E_RNA)
where:
Base-Base interactions energy: -37.498
where: short stacking energy: -36.956
Base-Backbone interact. energy: -0.129
local terms energy: -66.485470
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -11.348
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: 60
Temperature: 1.100000
Total energy: -98.339667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.339667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.339667 (E_RNA)
where:
Base-Base interactions energy: -38.110
where: short stacking energy: -38.110
Base-Backbone interact. energy: -0.004
local terms energy: -60.225209
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -98.899005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899005 (E_RNA)
where:
Base-Base interactions energy: -44.501
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.079
local terms energy: -54.318921
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -12.291
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: 60
Temperature: 1.200000
Total energy: -101.907898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.907898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.907898 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -43.868
Base-Backbone interact. energy: -0.211
local terms energy: -57.828292
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -87.842867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.842867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.842867 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.438
local terms energy: -48.533495
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -76.986766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.986766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.986766 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -29.169
Base-Backbone interact. energy: 1.360
local terms energy: -47.097330
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -7.556
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: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -71.873365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.873365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.873365 (E_RNA)
where:
Base-Base interactions energy: -22.827
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.100
local terms energy: -48.946043
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -194.631849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.631849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.631849 (E_RNA)
where:
Base-Base interactions energy: -113.436
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.044
local terms energy: -81.151931
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -17.953
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: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -188.011578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.011578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.011578 (E_RNA)
where:
Base-Base interactions energy: -113.674
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.087
local terms energy: -74.251035
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -170.754309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.754309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.754309 (E_RNA)
where:
Base-Base interactions energy: -101.714
where: short stacking energy: -56.608
Base-Backbone interact. energy: -0.443
local terms energy: -68.597543
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -101.508621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.508621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.508621 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -41.052
Base-Backbone interact. energy: -0.038
local terms energy: -60.419336
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -89.041966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.041966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.041966 (E_RNA)
where:
Base-Base interactions energy: -44.409
where: short stacking energy: -33.042
Base-Backbone interact. energy: 1.103
local terms energy: -45.735667
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -3.324
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: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -102.566259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.566259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.566259 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.017
local terms energy: -65.193340
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -7.668
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -100.829051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.829051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.829051 (E_RNA)
where:
Base-Base interactions energy: -43.816
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.113
local terms energy: -56.899927
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -8.960
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.654387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.654387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.654387 (E_RNA)
where:
Base-Base interactions energy: -39.459
where: short stacking energy: -39.437
Base-Backbone interact. energy: -0.542
local terms energy: -54.653188
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -83.331442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331442 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.283
local terms energy: -48.834466
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -74.689454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.689454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.689454 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.267
local terms energy: -38.899441
where:
bonds (distance) C4'-P energy: -6.563
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -203.117844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.117844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.117844 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.002
local terms energy: -77.489309
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -191.056112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.056112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.056112 (E_RNA)
where:
Base-Base interactions energy: -116.211
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.004
local terms energy: -74.841917
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -169.345784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.345784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.345784 (E_RNA)
where:
Base-Base interactions energy: -99.000
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.001
local terms energy: -70.345195
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.777
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: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -119.293915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.293915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.293915 (E_RNA)
where:
Base-Base interactions energy: -57.217
where: short stacking energy: -51.208
Base-Backbone interact. energy: 0.891
local terms energy: -62.967434
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -99.279553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.279553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.279553 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -29.451
Base-Backbone interact. energy: -0.014
local terms energy: -61.858882
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -88.955550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.955550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.955550 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -14.700
Base-Backbone interact. energy: -0.417
local terms energy: -56.526987
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -89.573646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573646 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.089
local terms energy: -50.754058
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -7.116
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -91.570576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570576 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.119
local terms energy: -50.325745
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -9.036
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: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -100.707459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.707459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.707459 (E_RNA)
where:
Base-Base interactions energy: -49.271
where: short stacking energy: -44.862
Base-Backbone interact. energy: 0.691
local terms energy: -52.127638
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -10.198
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: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.395974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.395974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.395974 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.216
local terms energy: -38.919538
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -6.963
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -4.400
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: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -193.760006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.760006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.760006 (E_RNA)
where:
Base-Base interactions energy: -112.256
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.009
local terms energy: -81.494219
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -184.564391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.564391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.564391 (E_RNA)
where:
Base-Base interactions energy: -114.043
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.062
local terms energy: -70.459309
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -187.875272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.875272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.875272 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.342
local terms energy: -72.042484
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -125.623999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.623999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.623999 (E_RNA)
where:
Base-Base interactions energy: -62.807
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.059
local terms energy: -62.758287
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -10.578
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: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -102.952179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.952179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.952179 (E_RNA)
where:
Base-Base interactions energy: -44.683
where: short stacking energy: -39.108
Base-Backbone interact. energy: -0.031
local terms energy: -58.237852
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -4.748
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: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -89.192559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.192559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.192559 (E_RNA)
where:
Base-Base interactions energy: -25.566
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.143
local terms energy: -63.483360
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -81.945907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945907 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.070
local terms energy: -47.864277
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -80.770889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.770889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.770889 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -32.627
Base-Backbone interact. energy: 0.081
local terms energy: -48.225215
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -80.420248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420248 (E_RNA)
where:
Base-Base interactions energy: -34.207
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.246
local terms energy: -45.966529
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -73.924717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.924717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.924717 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -17.249
Base-Backbone interact. energy: -0.050
local terms energy: -47.735966
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -198.215301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.215301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.215301 (E_RNA)
where:
Base-Base interactions energy: -121.084
where: short stacking energy: -72.032
Base-Backbone interact. energy: 0.832
local terms energy: -77.963405
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -175.103817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.103817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.103817 (E_RNA)
where:
Base-Base interactions energy: -107.768
where: short stacking energy: -49.158
Base-Backbone interact. energy: -1.049
local terms energy: -66.287375
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -11.637
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: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -196.340833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.340833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.340833 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -70.992
Base-Backbone interact. energy: -0.010
local terms energy: -77.067425
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -114.749370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.749370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.749370 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.079
local terms energy: -64.076350
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -8.583
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -112.745835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.745835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.745835 (E_RNA)
where:
Base-Base interactions energy: -61.863
where: short stacking energy: -40.336
Base-Backbone interact. energy: 0.643
local terms energy: -51.525402
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -7.672
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -100.539373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539373 (E_RNA)
where:
Base-Base interactions energy: -48.516
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.245
local terms energy: -51.778916
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -95.063330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.063330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.063330 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -30.055
Base-Backbone interact. energy: -0.090
local terms energy: -58.146075
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -82.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971053 (E_RNA)
where:
Base-Base interactions energy: -30.646
where: short stacking energy: -30.646
Base-Backbone interact. energy: -0.051
local terms energy: -52.274264
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -81.906487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.906487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.906487 (E_RNA)
where:
Base-Base interactions energy: -28.731
where: short stacking energy: -28.731
Base-Backbone interact. energy: 0.628
local terms energy: -53.803053
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -81.524321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524321 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.084
local terms energy: -45.281407
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -194.145811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145811 (E_RNA)
where:
Base-Base interactions energy: -123.553
where: short stacking energy: -76.215
Base-Backbone interact. energy: -0.002
local terms energy: -70.591044
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -193.376996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.376996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.376996 (E_RNA)
where:
Base-Base interactions energy: -117.459
where: short stacking energy: -70.343
Base-Backbone interact. energy: -0.016
local terms energy: -75.901542
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -161.613394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.613394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.613394 (E_RNA)
where:
Base-Base interactions energy: -96.847
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.194
local terms energy: -64.572466
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -122.048644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.048644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.048644 (E_RNA)
where:
Base-Base interactions energy: -56.118
where: short stacking energy: -52.733
Base-Backbone interact. energy: -0.026
local terms energy: -65.903830
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -93.991368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.991368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.991368 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.013
local terms energy: -47.976539
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -8.402
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -106.040930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.040930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.040930 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.120
local terms energy: -54.528542
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -89.262979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.262979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.262979 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -28.827
Base-Backbone interact. energy: -0.221
local terms energy: -55.995867
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -84.487917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487917 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -32.261
Base-Backbone interact. energy: -0.201
local terms energy: -48.005575
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -0.886
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -74.716064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.716064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.716064 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -37.524
Base-Backbone interact. energy: -0.118
local terms energy: -37.073166
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -77.481272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481272 (E_RNA)
where:
Base-Base interactions energy: -23.643
where: short stacking energy: -18.001
Base-Backbone interact. energy: 2.002
local terms energy: -55.839982
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -195.281613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.281613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.281613 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -69.302
Base-Backbone interact. energy: -0.001
local terms energy: -77.594550
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -196.707368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.707368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.707368 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.017
local terms energy: -81.090016
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -121.263119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.263119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.263119 (E_RNA)
where:
Base-Base interactions energy: -55.303
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.065
local terms energy: -65.894904
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -12.962
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: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -164.473282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.473282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.473282 (E_RNA)
where:
Base-Base interactions energy: -107.312
where: short stacking energy: -46.458
Base-Backbone interact. energy: -0.250
local terms energy: -56.910706
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -11.987
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: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -99.174409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.174409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.174409 (E_RNA)
where:
Base-Base interactions energy: -45.851
where: short stacking energy: -38.448
Base-Backbone interact. energy: 1.493
local terms energy: -54.816205
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -94.056678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056678 (E_RNA)
where:
Base-Base interactions energy: -49.197
where: short stacking energy: -25.665
Base-Backbone interact. energy: -0.100
local terms energy: -44.758985
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -91.747612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747612 (E_RNA)
where:
Base-Base interactions energy: -34.157
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.017
local terms energy: -57.573541
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.481
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -83.623976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.623976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.623976 (E_RNA)
where:
Base-Base interactions energy: -24.861
where: short stacking energy: -22.428
Base-Backbone interact. energy: -1.398
local terms energy: -57.364301
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -84.680758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.680758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.680758 (E_RNA)
where:
Base-Base interactions energy: -41.291
where: short stacking energy: -31.232
Base-Backbone interact. energy: 1.970
local terms energy: -45.360053
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -2.660
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: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -78.255091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.255091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.255091 (E_RNA)
where:
Base-Base interactions energy: -29.387
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.417
local terms energy: -48.451718
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -202.787219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.787219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.787219 (E_RNA)
where:
Base-Base interactions energy: -119.546
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.528
local terms energy: -82.713128
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -193.465632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.465632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.465632 (E_RNA)
where:
Base-Base interactions energy: -113.756
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.088
local terms energy: -79.621171
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -118.918607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.918607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.918607 (E_RNA)
where:
Base-Base interactions energy: -58.139
where: short stacking energy: -44.782
Base-Backbone interact. energy: -0.765
local terms energy: -60.015049
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -13.169
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -108.225728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.225728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.225728 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -40.719
Base-Backbone interact. energy: -0.538
local terms energy: -64.603248
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -10.150
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: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -152.799718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.799718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.799718 (E_RNA)
where:
Base-Base interactions energy: -92.786
where: short stacking energy: -42.638
Base-Backbone interact. energy: -0.279
local terms energy: -59.734688
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -8.376
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -110.068502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.068502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.068502 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -49.245
Base-Backbone interact. energy: -0.084
local terms energy: -60.740326
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -91.698476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698476 (E_RNA)
where:
Base-Base interactions energy: -44.116
where: short stacking energy: -43.006
Base-Backbone interact. energy: 2.417
local terms energy: -49.998797
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -90.326999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.326999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.326999 (E_RNA)
where:
Base-Base interactions energy: -41.811
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.229
local terms energy: -48.287116
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.221871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.221871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.221871 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.215
local terms energy: -47.347272
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -75.328932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.328932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.328932 (E_RNA)
where:
Base-Base interactions energy: -37.636
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.675
local terms energy: -37.017827
where:
bonds (distance) C4'-P energy: -7.276
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -0.706
tors. eta vs tors. theta energy: -4.721
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: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -197.231879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231879 (E_RNA)
where:
Base-Base interactions energy: -123.120
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.002
local terms energy: -74.110694
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -17.953
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -193.004391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.004391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.004391 (E_RNA)
where:
Base-Base interactions energy: -115.599
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.004
local terms energy: -77.401441
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -144.022978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.022978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.022978 (E_RNA)
where:
Base-Base interactions energy: -81.080
where: short stacking energy: -47.792
Base-Backbone interact. energy: 0.430
local terms energy: -63.372910
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -128.309252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.309252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.309252 (E_RNA)
where:
Base-Base interactions energy: -73.555
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.027
local terms energy: -54.727076
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -7.408
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: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -157.341131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.341131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.341131 (E_RNA)
where:
Base-Base interactions energy: -97.330
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.162
local terms energy: -59.848863
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.929
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: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -102.916794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.916794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.916794 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -39.998
Base-Backbone interact. energy: -0.008
local terms energy: -58.314613
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -99.705095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.705095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.705095 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -37.325
Base-Backbone interact. energy: -0.244
local terms energy: -55.246271
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -7.941
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -81.930967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930967 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -28.581
Base-Backbone interact. energy: 0.125
local terms energy: -53.438459
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -4.988
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: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -89.346011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346011 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -35.177
Base-Backbone interact. energy: -0.165
local terms energy: -44.590121
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -2.623
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -70.988686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.988686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.988686 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -22.872
Base-Backbone interact. energy: -0.967
local terms energy: -43.721143
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -197.914112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.914112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.914112 (E_RNA)
where:
Base-Base interactions energy: -119.539
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.025
local terms energy: -78.350481
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -20.237
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: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -199.830437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.830437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.830437 (E_RNA)
where:
Base-Base interactions energy: -120.056
where: short stacking energy: -74.455
Base-Backbone interact. energy: -0.228
local terms energy: -79.546393
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -154.316447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.316447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.316447 (E_RNA)
where:
Base-Base interactions energy: -90.265
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.167
local terms energy: -63.884273
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -166.957205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.957205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.957205 (E_RNA)
where:
Base-Base interactions energy: -102.771
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.147
local terms energy: -64.039402
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -100.308932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.308932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.308932 (E_RNA)
where:
Base-Base interactions energy: -43.171
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.330
local terms energy: -56.808139
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -3.568
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: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -110.118856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.118856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.118856 (E_RNA)
where:
Base-Base interactions energy: -55.368
where: short stacking energy: -30.850
Base-Backbone interact. energy: -0.577
local terms energy: -54.173911
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -6.260
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: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -105.110954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.110954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.110954 (E_RNA)
where:
Base-Base interactions energy: -55.056
where: short stacking energy: -40.893
Base-Backbone interact. energy: 0.130
local terms energy: -50.184393
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -93.680617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.680617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.680617 (E_RNA)
where:
Base-Base interactions energy: -36.471
where: short stacking energy: -36.471
Base-Backbone interact. energy: -0.032
local terms energy: -57.177780
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -10.763
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: 69
Temperature: 1.300000
Total energy: -92.882434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882434 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -17.228
Base-Backbone interact. energy: -1.260
local terms energy: -50.863914
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.384
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: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -93.621772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.621772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.621772 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.155
local terms energy: -59.809724
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -193.552649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.552649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.552649 (E_RNA)
where:
Base-Base interactions energy: -118.383
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.001
local terms energy: -75.168638
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -198.676188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.676188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.676188 (E_RNA)
where:
Base-Base interactions energy: -118.079
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.001
local terms energy: -80.596061
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -14.432
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: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -146.432845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.432845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.432845 (E_RNA)
where:
Base-Base interactions energy: -84.658
where: short stacking energy: -46.356
Base-Backbone interact. energy: -0.565
local terms energy: -61.209494
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -6.309
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: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -158.108416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.108416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.108416 (E_RNA)
where:
Base-Base interactions energy: -95.082
where: short stacking energy: -50.241
Base-Backbone interact. energy: 0.125
local terms energy: -63.152273
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -99.245729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.245729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.245729 (E_RNA)
where:
Base-Base interactions energy: -39.924
where: short stacking energy: -38.866
Base-Backbone interact. energy: 0.535
local terms energy: -59.857038
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -91.388195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.388195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.388195 (E_RNA)
where:
Base-Base interactions energy: -40.075
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.540
local terms energy: -50.773104
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -78.189318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.189318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.189318 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.243
local terms energy: -51.204029
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.489
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: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -75.108442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.108442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.108442 (E_RNA)
where:
Base-Base interactions energy: -31.426
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.720
local terms energy: -42.962489
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -88.511914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.511914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.511914 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.508
local terms energy: -53.446192
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -83.125244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125244 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.139
local terms energy: -48.014550
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -193.679791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.679791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.679791 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.001
local terms energy: -80.190161
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -204.174394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.174394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.174394 (E_RNA)
where:
Base-Base interactions energy: -122.805
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.351
local terms energy: -81.019119
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -22.305
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -157.295273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.295273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.295273 (E_RNA)
where:
Base-Base interactions energy: -101.756
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.174
local terms energy: -55.365170
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -131.594497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.594497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.594497 (E_RNA)
where:
Base-Base interactions energy: -67.652
where: short stacking energy: -53.191
Base-Backbone interact. energy: 0.179
local terms energy: -64.121040
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -9.494
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: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -99.652291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.652291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.652291 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -32.057
Base-Backbone interact. energy: 0.567
local terms energy: -65.172243
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -102.282309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.282309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.282309 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.035
local terms energy: -60.186771
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -7.346
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: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -94.361764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.361764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.361764 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.013
local terms energy: -56.170628
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -84.557165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.557165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.557165 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -20.361
Base-Backbone interact. energy: -1.057
local terms energy: -43.927849
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -9.398
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: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -79.274586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.274586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.274586 (E_RNA)
where:
Base-Base interactions energy: -28.893
where: short stacking energy: -25.380
Base-Backbone interact. energy: 0.136
local terms energy: -50.517918
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.288
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: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -75.673631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.673631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.673631 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -17.092
Base-Backbone interact. energy: -0.169
local terms energy: -48.582348
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -10.194
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -196.985088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.985088 (E_RNA)
where:
Base-Base interactions energy: -117.749
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.000
local terms energy: -79.235692
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -9.984
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -194.020944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.020944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.020944 (E_RNA)
where:
Base-Base interactions energy: -116.796
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.062
local terms energy: -77.162749
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -165.373607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.373607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.373607 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -45.654
Base-Backbone interact. energy: -0.083
local terms energy: -57.833493
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -142.317323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.317323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.317323 (E_RNA)
where:
Base-Base interactions energy: -81.351
where: short stacking energy: -50.459
Base-Backbone interact. energy: -0.007
local terms energy: -60.958746
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -106.115153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.115153 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -30.657
Base-Backbone interact. energy: -0.079
local terms energy: -64.974097
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -100.311430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.311430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.311430 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -39.579
Base-Backbone interact. energy: -0.108
local terms energy: -57.101542
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -93.287663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287663 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.730
local terms energy: -52.411401
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -4.326
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: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -76.564357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.564357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.564357 (E_RNA)
where:
Base-Base interactions energy: -24.893
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.035
local terms energy: -51.636574
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -86.237778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.237778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.237778 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.519
local terms energy: -48.659129
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -6.349
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: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -84.587224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.587224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.587224 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -23.910
Base-Backbone interact. energy: 0.566
local terms energy: -53.437625
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -201.243843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.243843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.243843 (E_RNA)
where:
Base-Base interactions energy: -124.971
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.037
local terms energy: -76.236496
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -167.145302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.145302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.145302 (E_RNA)
where:
Base-Base interactions energy: -99.023
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.210
local terms energy: -67.912342
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.303
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: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -181.386119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.386119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386119 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.106
local terms energy: -62.701866
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -149.650989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.650989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.650989 (E_RNA)
where:
Base-Base interactions energy: -79.538
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.045
local terms energy: -70.068342
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -7.823
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: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -118.908792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.908792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.908792 (E_RNA)
where:
Base-Base interactions energy: -59.731
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.563
local terms energy: -58.615086
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -108.539323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.539323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.539323 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -28.258
Base-Backbone interact. energy: -0.184
local terms energy: -60.421687
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -83.306780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.306780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.306780 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -25.796
Base-Backbone interact. energy: -1.072
local terms energy: -40.210428
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: 5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -91.363057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363057 (E_RNA)
where:
Base-Base interactions energy: -45.516
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.276
local terms energy: -45.571317
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -4.211
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -73.643045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.643045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.643045 (E_RNA)
where:
Base-Base interactions energy: -22.050
where: short stacking energy: -18.462
Base-Backbone interact. energy: -0.161
local terms energy: -51.431947
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -3.236
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: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -72.464338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464338 (E_RNA)
where:
Base-Base interactions energy: -24.975
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.819
local terms energy: -46.670695
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -3.459
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: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -204.132721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.132721 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -73.512
Base-Backbone interact. energy: -0.003
local terms energy: -79.836215
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -176.135631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.135631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.135631 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.001
local terms energy: -76.806427
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.176
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: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -187.181812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.181812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.181812 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.335
local terms energy: -74.136596
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -135.107238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.107238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.107238 (E_RNA)
where:
Base-Base interactions energy: -75.548
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.080
local terms energy: -59.479206
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -97.958791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958791 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.285
local terms energy: -50.942436
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -4.158
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -111.323289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.323289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.323289 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.095
local terms energy: -66.809307
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -14.594
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: 74
Temperature: 1.200000
Total energy: -95.753634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.753634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.753634 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -37.120
Base-Backbone interact. energy: 1.800
local terms energy: -49.419894
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -76.897627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.897627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.897627 (E_RNA)
where:
Base-Base interactions energy: -25.445
where: short stacking energy: -18.305
Base-Backbone interact. energy: 0.002
local terms energy: -51.454937
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.126
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -81.241489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.241489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.241489 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -34.824
Base-Backbone interact. energy: 0.215
local terms energy: -44.545297
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -0.959
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -84.298981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.298981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.298981 (E_RNA)
where:
Base-Base interactions energy: -24.141
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.171
local terms energy: -59.987012
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -198.752819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.752819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.752819 (E_RNA)
where:
Base-Base interactions energy: -124.561
where: short stacking energy: -74.913
Base-Backbone interact. energy: -0.268
local terms energy: -73.923873
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -187.343604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.343604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.343604 (E_RNA)
where:
Base-Base interactions energy: -112.667
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.637
local terms energy: -74.039576
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -176.177375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.177375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.177375 (E_RNA)
where:
Base-Base interactions energy: -105.489
where: short stacking energy: -60.788
Base-Backbone interact. energy: 0.573
local terms energy: -71.261201
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.890
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: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -112.380607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.380607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.380607 (E_RNA)
where:
Base-Base interactions energy: -48.225
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.053
local terms energy: -64.102155
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -105.490634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.490634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.490634 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -31.707
Base-Backbone interact. energy: 0.091
local terms energy: -62.978365
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -6.725
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: 75
Temperature: 1.150000
Total energy: -91.708562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708562 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -29.410
Base-Backbone interact. energy: 1.457
local terms energy: -50.434277
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -3.307
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: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -86.077624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077624 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -30.977
Base-Backbone interact. energy: 0.502
local terms energy: -55.602461
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -82.574385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574385 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -34.625
Base-Backbone interact. energy: -0.152
local terms energy: -39.170776
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -8.627
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: 0.851
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -90.729878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.729878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.729878 (E_RNA)
where:
Base-Base interactions energy: -46.636
where: short stacking energy: -22.915
Base-Backbone interact. energy: -0.200
local terms energy: -43.893778
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -8.328
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -72.883482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.883482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.883482 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.023
local terms energy: -38.622829
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -3.854
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -192.445202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.445202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.445202 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -68.403
Base-Backbone interact. energy: -0.119
local terms energy: -76.399932
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.765
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: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -197.233449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.233449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.233449 (E_RNA)
where:
Base-Base interactions energy: -113.192
where: short stacking energy: -69.298
Base-Backbone interact. energy: -0.040
local terms energy: -84.001491
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -172.434188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434188 (E_RNA)
where:
Base-Base interactions energy: -98.368
where: short stacking energy: -43.858
Base-Backbone interact. energy: -0.641
local terms energy: -73.424438
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -100.188188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.188188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.188188 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -39.603
Base-Backbone interact. energy: -0.235
local terms energy: -57.484693
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -111.609194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609194 (E_RNA)
where:
Base-Base interactions energy: -66.940
where: short stacking energy: -41.665
Base-Backbone interact. energy: -0.091
local terms energy: -44.578736
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -92.176377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.176377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.176377 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.143
local terms energy: -54.699788
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -95.406713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.406713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.406713 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.353
local terms energy: -50.441762
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -85.253697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.253697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.253697 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -25.300
Base-Backbone interact. energy: 0.123
local terms energy: -58.614277
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -85.215943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.215943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.215943 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -31.301
Base-Backbone interact. energy: -0.245
local terms energy: -51.843435
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -6.366
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: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -73.021414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.021414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.021414 (E_RNA)
where:
Base-Base interactions energy: -22.917
where: short stacking energy: -22.917
Base-Backbone interact. energy: -0.208
local terms energy: -49.896568
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -1.197
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: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -200.296524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.296524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.296524 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.003
local terms energy: -81.573259
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -196.309310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.309310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.309310 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.003
local terms energy: -80.868849
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -151.487953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.487953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.487953 (E_RNA)
where:
Base-Base interactions energy: -92.740
where: short stacking energy: -41.947
Base-Backbone interact. energy: -0.345
local terms energy: -58.402784
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -140.171904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.171904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.171904 (E_RNA)
where:
Base-Base interactions energy: -72.847
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.064
local terms energy: -67.261453
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -115.659315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.659315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.659315 (E_RNA)
where:
Base-Base interactions energy: -52.676
where: short stacking energy: -44.466
Base-Backbone interact. energy: -0.061
local terms energy: -62.922196
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -105.691231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.691231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.691231 (E_RNA)
where:
Base-Base interactions energy: -51.390
where: short stacking energy: -37.508
Base-Backbone interact. energy: -0.175
local terms energy: -54.125753
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -9.149
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: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -83.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.400134 (E_RNA)
where:
Base-Base interactions energy: -34.286
where: short stacking energy: -34.286
Base-Backbone interact. energy: -0.218
local terms energy: -48.895507
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -5.908
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: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -76.939649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939649 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.181
local terms energy: -48.604036
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -81.623188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.623188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.623188 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -19.424
Base-Backbone interact. energy: -0.393
local terms energy: -52.087572
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -68.747229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.747229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.747229 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.139
local terms energy: -40.696364
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -7.973
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -202.354992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.354992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.354992 (E_RNA)
where:
Base-Base interactions energy: -124.044
where: short stacking energy: -76.541
Base-Backbone interact. energy: -1.395
local terms energy: -76.915687
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -184.898752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.898752 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.156
local terms energy: -77.283680
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -157.252434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.252434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.252434 (E_RNA)
where:
Base-Base interactions energy: -92.260
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.161
local terms energy: -64.831154
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -9.626
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: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -131.481365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.481365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.481365 (E_RNA)
where:
Base-Base interactions energy: -72.436
where: short stacking energy: -41.246
Base-Backbone interact. energy: -0.451
local terms energy: -58.594257
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.884
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: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -100.540490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.540490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.540490 (E_RNA)
where:
Base-Base interactions energy: -41.821
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.028
local terms energy: -58.691650
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -113.046318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.046318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.046318 (E_RNA)
where:
Base-Base interactions energy: -49.949
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.727
local terms energy: -62.370181
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -88.162790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162790 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -23.043
Base-Backbone interact. energy: -0.142
local terms energy: -56.754891
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -12.015
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: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -95.593576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.593576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.593576 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.004
local terms energy: -58.254823
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -86.728832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.728832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.728832 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -17.807
Base-Backbone interact. energy: -0.254
local terms energy: -34.532154
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -6.686
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -6.827
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: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.813973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.813973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.813973 (E_RNA)
where:
Base-Base interactions energy: -41.932
where: short stacking energy: -30.320
Base-Backbone interact. energy: 1.659
local terms energy: -38.540709
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -6.440
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -202.006363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006363 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.024
local terms energy: -81.480496
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.276
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -196.484802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.484802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.484802 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -72.853
Base-Backbone interact. energy: -0.196
local terms energy: -79.652200
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -151.373825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.373825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.373825 (E_RNA)
where:
Base-Base interactions energy: -87.033
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.368
local terms energy: -63.972696
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -12.719
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -118.580086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580086 (E_RNA)
where:
Base-Base interactions energy: -74.067
where: short stacking energy: -34.725
Base-Backbone interact. energy: 1.311
local terms energy: -45.824920
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -6.214
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: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -110.279535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.279535 (E_RNA)
where:
Base-Base interactions energy: -55.824
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.080
local terms energy: -54.375455
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -101.837442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.837442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.837442 (E_RNA)
where:
Base-Base interactions energy: -47.976
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.078
local terms energy: -53.783597
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -5.939
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: 79
Temperature: 1.200000
Total energy: -103.832789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.832789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.832789 (E_RNA)
where:
Base-Base interactions energy: -46.612
where: short stacking energy: -44.092
Base-Backbone interact. energy: -0.080
local terms energy: -57.140861
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.880
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: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -90.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.930769 (E_RNA)
where:
Base-Base interactions energy: -40.499
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.180
local terms energy: -50.251528
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -85.885756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885756 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -23.126
Base-Backbone interact. energy: -0.230
local terms energy: -47.416653
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.018
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: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -82.681588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.681588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.681588 (E_RNA)
where:
Base-Base interactions energy: -29.334
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.113
local terms energy: -53.235021
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -197.550086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.550086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.550086 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.032
local terms energy: -76.834321
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -10.255
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: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -195.163469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.163469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.163469 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -74.226
Base-Backbone interact. energy: -0.000
local terms energy: -70.416625
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.666
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -134.484655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.484655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.484655 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -45.009
Base-Backbone interact. energy: -0.031
local terms energy: -63.306227
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -12.838
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: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -99.553751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.553751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.553751 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.248
local terms energy: -50.069425
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -93.919735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919735 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -36.116
Base-Backbone interact. energy: 1.076
local terms energy: -55.390300
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -115.698772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.698772 (E_RNA)
where:
Base-Base interactions energy: -49.703
where: short stacking energy: -48.748
Base-Backbone interact. energy: -0.161
local terms energy: -65.834550
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -9.769
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -84.644972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644972 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -35.495
Base-Backbone interact. energy: -0.049
local terms energy: -45.003147
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -85.773420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.773420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.773420 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.806
local terms energy: -54.353602
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.258
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: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -97.928343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.928343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.928343 (E_RNA)
where:
Base-Base interactions energy: -46.725
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.098
local terms energy: -51.106124
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -81.016540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.016540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.016540 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -29.267
Base-Backbone interact. energy: -0.126
local terms energy: -45.996074
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -3.338
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: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -186.699052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699052 (E_RNA)
where:
Base-Base interactions energy: -110.828
where: short stacking energy: -59.022
Base-Backbone interact. energy: 0.450
local terms energy: -76.321149
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -193.272983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.272983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.272983 (E_RNA)
where:
Base-Base interactions energy: -120.780
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.394
local terms energy: -72.098655
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -131.159330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.159330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.159330 (E_RNA)
where:
Base-Base interactions energy: -73.535
where: short stacking energy: -30.630
Base-Backbone interact. energy: -0.273
local terms energy: -57.351200
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -114.641681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.641681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.641681 (E_RNA)
where:
Base-Base interactions energy: -48.815
where: short stacking energy: -48.815
Base-Backbone interact. energy: -1.288
local terms energy: -64.538519
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -113.647803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.647803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.647803 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -46.062
Base-Backbone interact. energy: 0.164
local terms energy: -54.975598
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -82.671514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.671514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.671514 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.740
local terms energy: -51.017889
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -86.190828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.190828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.190828 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.245
local terms energy: -53.691003
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -8.435
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: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -96.692656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.692656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.692656 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.061
local terms energy: -54.999261
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -86.629595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.629595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.629595 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -28.725
Base-Backbone interact. energy: -0.113
local terms energy: -51.245477
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.769407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.769407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.769407 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.126
local terms energy: -51.422508
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.526
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -195.533119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533119 (E_RNA)
where:
Base-Base interactions energy: -117.413
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.728
local terms energy: -77.391533
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -18.917
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -186.065921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065921 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.013
local terms energy: -73.381492
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -125.484855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.484855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.484855 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -55.959
Base-Backbone interact. energy: 0.962
local terms energy: -70.488108
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -16.943
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -108.889377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.889377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.889377 (E_RNA)
where:
Base-Base interactions energy: -45.502
where: short stacking energy: -42.353
Base-Backbone interact. energy: -0.117
local terms energy: -63.270568
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -103.306297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.306297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.306297 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -35.133
Base-Backbone interact. energy: -0.300
local terms energy: -59.609911
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -6.998
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -113.011498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.011498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.011498 (E_RNA)
where:
Base-Base interactions energy: -55.483
where: short stacking energy: -43.070
Base-Backbone interact. energy: -0.681
local terms energy: -56.847703
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -98.884586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884586 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.264
local terms energy: -56.753446
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -92.545123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545123 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.095
local terms energy: -55.940512
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -11.114
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: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -83.870020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.870020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.870020 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -23.888
Base-Backbone interact. energy: 0.885
local terms energy: -45.293914
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -2.403
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: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -74.606262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.606262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.606262 (E_RNA)
where:
Base-Base interactions energy: -32.827
where: short stacking energy: -21.662
Base-Backbone interact. energy: 0.055
local terms energy: -41.834054
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -6.857
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: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -188.992886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.992886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.992886 (E_RNA)
where:
Base-Base interactions energy: -111.336
where: short stacking energy: -62.705
Base-Backbone interact. energy: 1.087
local terms energy: -78.744395
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -12.227
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -194.442943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.442943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.442943 (E_RNA)
where:
Base-Base interactions energy: -120.402
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.082
local terms energy: -73.958806
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -121.606246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.606246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.606246 (E_RNA)
where:
Base-Base interactions energy: -65.626
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.060
local terms energy: -55.920410
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -8.000
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -112.106575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.106575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.106575 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.015
local terms energy: -63.988746
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -11.607
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: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -104.886102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.886102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.886102 (E_RNA)
where:
Base-Base interactions energy: -47.605
where: short stacking energy: -31.719
Base-Backbone interact. energy: -0.163
local terms energy: -57.117961
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -96.980384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.980384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.980384 (E_RNA)
where:
Base-Base interactions energy: -46.316
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.072
local terms energy: -50.592433
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -2.859
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: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -111.118683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.118683 (E_RNA)
where:
Base-Base interactions energy: -60.097
where: short stacking energy: -36.411
Base-Backbone interact. energy: -0.160
local terms energy: -50.861931
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -2.956
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -89.654959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.654959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.654959 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.271
local terms energy: -50.181045
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -78.106801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.106801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.106801 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.067
local terms energy: -50.897795
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -9.787
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: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -77.775047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775047 (E_RNA)
where:
Base-Base interactions energy: -29.258
where: short stacking energy: -21.862
Base-Backbone interact. energy: -1.080
local terms energy: -47.437080
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -1.355
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: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -201.936534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.936534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.936534 (E_RNA)
where:
Base-Base interactions energy: -119.199
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.028
local terms energy: -82.709740
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -22.806
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -197.627048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.627048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.627048 (E_RNA)
where:
Base-Base interactions energy: -119.015
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.576
local terms energy: -78.035778
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -132.661799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.661799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.661799 (E_RNA)
where:
Base-Base interactions energy: -64.520
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.858
local terms energy: -67.284140
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -107.901749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.901749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.901749 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.116
local terms energy: -63.286677
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -7.435
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: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -119.718429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.718429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.718429 (E_RNA)
where:
Base-Base interactions energy: -59.936
where: short stacking energy: -38.913
Base-Backbone interact. energy: 0.831
local terms energy: -60.613154
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -87.945508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.945508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.945508 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.243
local terms energy: -56.341286
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -93.210502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.210502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.210502 (E_RNA)
where:
Base-Base interactions energy: -40.914
where: short stacking energy: -33.935
Base-Backbone interact. energy: 3.413
local terms energy: -55.709531
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -86.649769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649769 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -33.603
Base-Backbone interact. energy: -0.009
local terms energy: -42.970478
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -5.669
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -85.195931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.195931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.195931 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.275
local terms energy: -53.088612
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -77.441767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.441767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.441767 (E_RNA)
where:
Base-Base interactions energy: -22.221
where: short stacking energy: -20.290
Base-Backbone interact. energy: -0.101
local terms energy: -55.120160
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -6.417
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: 85
Temperature: 0.900000
Total energy: -199.218766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218766 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.022
local terms energy: -79.983377
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -188.922970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.922970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.922970 (E_RNA)
where:
Base-Base interactions energy: -113.926
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.004
local terms energy: -74.993197
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.910
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: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -149.750395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.750395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.750395 (E_RNA)
where:
Base-Base interactions energy: -76.497
where: short stacking energy: -50.260
Base-Backbone interact. energy: -0.005
local terms energy: -73.248510
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -14.576
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -116.230680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.230680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.230680 (E_RNA)
where:
Base-Base interactions energy: -61.264
where: short stacking energy: -38.674
Base-Backbone interact. energy: 0.917
local terms energy: -55.884006
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -96.840501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.840501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.840501 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.002
local terms energy: -59.787006
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -111.319276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.319276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.319276 (E_RNA)
where:
Base-Base interactions energy: -60.441
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.241
local terms energy: -50.637714
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -9.106
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -8.948
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -95.178733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.178733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.178733 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.101
local terms energy: -54.913491
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -6.352
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -79.683340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.683340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.683340 (E_RNA)
where:
Base-Base interactions energy: -26.281
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.001
local terms energy: -53.401676
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.288043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.288043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.288043 (E_RNA)
where:
Base-Base interactions energy: -43.786
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.061
local terms energy: -40.440804
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -5.013
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: 0.179
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: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -71.779533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.779533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.779533 (E_RNA)
where:
Base-Base interactions energy: -24.015
where: short stacking energy: -23.541
Base-Backbone interact. energy: 0.325
local terms energy: -48.090188
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -200.035407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.035407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.035407 (E_RNA)
where:
Base-Base interactions energy: -119.374
where: short stacking energy: -69.726
Base-Backbone interact. energy: -0.001
local terms energy: -80.660112
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.812
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: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -195.755327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755327 (E_RNA)
where:
Base-Base interactions energy: -120.298
where: short stacking energy: -74.197
Base-Backbone interact. energy: -0.049
local terms energy: -75.407714
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -190.472722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.472722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.472722 (E_RNA)
where:
Base-Base interactions energy: -113.227
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.001
local terms energy: -77.244242
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -126.401565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.401565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.401565 (E_RNA)
where:
Base-Base interactions energy: -66.928
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.423
local terms energy: -59.050169
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -113.558968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.558968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.558968 (E_RNA)
where:
Base-Base interactions energy: -51.039
where: short stacking energy: -39.784
Base-Backbone interact. energy: -1.178
local terms energy: -61.342562
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -91.467234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.467234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.467234 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.015
local terms energy: -56.930207
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -82.070348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070348 (E_RNA)
where:
Base-Base interactions energy: -31.273
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.461
local terms energy: -50.336014
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -2.678
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: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -83.253595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253595 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.141
local terms energy: -45.457135
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -1.179
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: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -75.769484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769484 (E_RNA)
where:
Base-Base interactions energy: -25.490
where: short stacking energy: -25.490
Base-Backbone interact. energy: -0.255
local terms energy: -50.024271
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -77.354299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.354299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.354299 (E_RNA)
where:
Base-Base interactions energy: -18.618
where: short stacking energy: -18.618
Base-Backbone interact. energy: -0.022
local terms energy: -58.715205
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -203.289403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.289403 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -75.415
Base-Backbone interact. energy: -0.042
local terms energy: -78.896595
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -199.348026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.348026 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.011
local terms energy: -76.710145
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -22.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -186.853657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.853657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.853657 (E_RNA)
where:
Base-Base interactions energy: -119.297
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.044
local terms energy: -67.512707
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.835
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -102.607283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.607283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.607283 (E_RNA)
where:
Base-Base interactions energy: -45.530
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.245
local terms energy: -56.832078
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -128.840582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.840582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.840582 (E_RNA)
where:
Base-Base interactions energy: -69.392
where: short stacking energy: -39.955
Base-Backbone interact. energy: 0.753
local terms energy: -60.200837
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -103.977069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.977069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.977069 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -39.854
Base-Backbone interact. energy: -0.007
local terms energy: -64.116257
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -12.416
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -89.704999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704999 (E_RNA)
where:
Base-Base interactions energy: -35.633
where: short stacking energy: -35.633
Base-Backbone interact. energy: 0.002
local terms energy: -54.074000
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -97.671458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.671458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.671458 (E_RNA)
where:
Base-Base interactions energy: -49.920
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.113
local terms energy: -47.638351
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -7.664
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -76.118997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.118997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.118997 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.128
local terms energy: -50.426189
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.518
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: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -76.906334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906334 (E_RNA)
where:
Base-Base interactions energy: -25.130
where: short stacking energy: -25.130
Base-Backbone interact. energy: 0.046
local terms energy: -51.822253
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -6.838
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: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -200.878656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878656 (E_RNA)
where:
Base-Base interactions energy: -120.119
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.345
local terms energy: -80.414796
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.152
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: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -195.238195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238195 (E_RNA)
where:
Base-Base interactions energy: -121.881
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.136
local terms energy: -73.220783
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.524
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -175.737064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.737064 (E_RNA)
where:
Base-Base interactions energy: -102.982
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.664
local terms energy: -72.091455
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -122.904492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.904492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.904492 (E_RNA)
where:
Base-Base interactions energy: -68.919
where: short stacking energy: -23.684
Base-Backbone interact. energy: -0.198
local terms energy: -53.786776
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -2.243
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: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -120.377390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.377390 (E_RNA)
where:
Base-Base interactions energy: -60.692
where: short stacking energy: -43.933
Base-Backbone interact. energy: 1.490
local terms energy: -61.175092
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -93.905923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.905923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.905923 (E_RNA)
where:
Base-Base interactions energy: -34.677
where: short stacking energy: -26.249
Base-Backbone interact. energy: -0.807
local terms energy: -58.421921
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -79.376159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376159 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.133
local terms energy: -47.722907
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.585
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: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -85.470376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470376 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -25.234
Base-Backbone interact. energy: -0.161
local terms energy: -46.278499
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -83.325154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325154 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -18.192
Base-Backbone interact. energy: -0.199
local terms energy: -55.618245
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.062
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: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -75.719746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.719746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.719746 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -19.929
Base-Backbone interact. energy: -0.115
local terms energy: -48.032378
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -202.141684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.141684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.141684 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.025
local terms energy: -78.950967
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -175.834805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.834805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.834805 (E_RNA)
where:
Base-Base interactions energy: -107.147
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.002
local terms energy: -68.686161
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -14.549
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: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -198.785005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.785005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.785005 (E_RNA)
where:
Base-Base interactions energy: -120.151
where: short stacking energy: -70.518
Base-Backbone interact. energy: 0.189
local terms energy: -78.823560
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -21.237
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: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -120.269039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.269039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.269039 (E_RNA)
where:
Base-Base interactions energy: -59.898
where: short stacking energy: -47.322
Base-Backbone interact. energy: -0.002
local terms energy: -60.369771
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -106.034574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.034574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.034574 (E_RNA)
where:
Base-Base interactions energy: -50.293
where: short stacking energy: -39.111
Base-Backbone interact. energy: 2.346
local terms energy: -58.087798
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -6.478
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: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -98.632896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.632896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.632896 (E_RNA)
where:
Base-Base interactions energy: -38.983
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.127
local terms energy: -59.522415
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -10.876
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -107.219014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.219014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.219014 (E_RNA)
where:
Base-Base interactions energy: -49.130
where: short stacking energy: -48.583
Base-Backbone interact. energy: -0.157
local terms energy: -57.931932
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -98.766068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.766068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.766068 (E_RNA)
where:
Base-Base interactions energy: -42.866
where: short stacking energy: -42.998
Base-Backbone interact. energy: -0.130
local terms energy: -55.770198
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.948
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: 89
Temperature: 1.300000
Total energy: -90.353885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.353885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.353885 (E_RNA)
where:
Base-Base interactions energy: -41.489
where: short stacking energy: -41.489
Base-Backbone interact. energy: -0.379
local terms energy: -48.485438
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -71.612044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.612044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.612044 (E_RNA)
where:
Base-Base interactions energy: -18.863
where: short stacking energy: -13.809
Base-Backbone interact. energy: -0.102
local terms energy: -52.646256
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -195.123615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.123615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.123615 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -73.056
Base-Backbone interact. energy: -0.054
local terms energy: -74.284805
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -186.042241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.042241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.042241 (E_RNA)
where:
Base-Base interactions energy: -114.827
where: short stacking energy: -70.495
Base-Backbone interact. energy: -0.001
local terms energy: -71.213992
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -13.744
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -187.563376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.563376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.563376 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -58.561
Base-Backbone interact. energy: -1.275
local terms energy: -77.900428
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -20.078
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: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -103.957555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.957555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.957555 (E_RNA)
where:
Base-Base interactions energy: -44.607
where: short stacking energy: -38.054
Base-Backbone interact. energy: 0.727
local terms energy: -60.077522
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -103.699879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.699879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.699879 (E_RNA)
where:
Base-Base interactions energy: -45.307
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.168
local terms energy: -58.225046
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -93.631585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.631585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.631585 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -29.517
Base-Backbone interact. energy: 0.153
local terms energy: -52.391701
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -103.414547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.414547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.414547 (E_RNA)
where:
Base-Base interactions energy: -59.251
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.455
local terms energy: -43.708199
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -6.325
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: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -94.172643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.172643 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -39.880
Base-Backbone interact. energy: -0.026
local terms energy: -54.267029
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -6.789
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: 90
Temperature: 1.300000
Total energy: -80.291240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.291240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.291240 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.093
local terms energy: -49.768991
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -84.132689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132689 (E_RNA)
where:
Base-Base interactions energy: -26.951
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.088
local terms energy: -57.093654
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -203.078209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.078209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.078209 (E_RNA)
where:
Base-Base interactions energy: -123.115
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.420
local terms energy: -79.543951
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -185.911512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.911512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.911512 (E_RNA)
where:
Base-Base interactions energy: -108.587
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.063
local terms energy: -77.261849
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.067
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -183.673171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.673171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.673171 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.503
local terms energy: -67.568940
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -113.285249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.285249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.285249 (E_RNA)
where:
Base-Base interactions energy: -56.250
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.078
local terms energy: -56.957099
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -110.958413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.958413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.958413 (E_RNA)
where:
Base-Base interactions energy: -46.756
where: short stacking energy: -46.756
Base-Backbone interact. energy: -0.024
local terms energy: -64.178081
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -119.134604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.134604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.134604 (E_RNA)
where:
Base-Base interactions energy: -54.958
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.088
local terms energy: -64.088983
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -91.653397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.653397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.653397 (E_RNA)
where:
Base-Base interactions energy: -35.136
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.635
local terms energy: -55.882166
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -90.436916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.436916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.436916 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.357
local terms energy: -55.713882
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -77.969985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969985 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.918
local terms energy: -51.503861
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -79.822393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822393 (E_RNA)
where:
Base-Base interactions energy: -24.836
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.179
local terms energy: -54.807697
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -188.740197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.740197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.740197 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.015
local terms energy: -71.787900
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -18.881
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -190.574649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.574649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.574649 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -74.945
Base-Backbone interact. energy: -0.011
local terms energy: -76.447187
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -12.807
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: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -188.957746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.957746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.957746 (E_RNA)
where:
Base-Base interactions energy: -111.338
where: short stacking energy: -64.413
Base-Backbone interact. energy: 0.411
local terms energy: -78.030737
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -117.902568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.902568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.902568 (E_RNA)
where:
Base-Base interactions energy: -53.237
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.066
local terms energy: -64.600160
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -4.093
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -99.679919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679919 (E_RNA)
where:
Base-Base interactions energy: -44.252
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.246
local terms energy: -55.181463
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -10.066
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: 92
Temperature: 1.150000
Total energy: -97.927915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927915 (E_RNA)
where:
Base-Base interactions energy: -36.052
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.186
local terms energy: -61.689849
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -10.059
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: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -79.838004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.838004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.838004 (E_RNA)
where:
Base-Base interactions energy: -25.889
where: short stacking energy: -25.889
Base-Backbone interact. energy: -0.378
local terms energy: -53.570921
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.369928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369928 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -33.901
Base-Backbone interact. energy: -0.082
local terms energy: -52.186936
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -82.161930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161930 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -27.474
Base-Backbone interact. energy: -1.330
local terms energy: -49.473524
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -84.814901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814901 (E_RNA)
where:
Base-Base interactions energy: -41.766
where: short stacking energy: -22.063
Base-Backbone interact. energy: -0.034
local terms energy: -43.014717
where:
bonds (distance) C4'-P energy: -6.515
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -198.410374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410374 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.711
local terms energy: -77.872268
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -193.105575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.105575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.105575 (E_RNA)
where:
Base-Base interactions energy: -120.571
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.028
local terms energy: -72.506874
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -19.020
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -196.643471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.643471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.643471 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.002
local terms energy: -77.010838
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -111.059561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.059561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.059561 (E_RNA)
where:
Base-Base interactions energy: -52.691
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.331
local terms energy: -58.037422
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.042
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -83.049471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.049471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.049471 (E_RNA)
where:
Base-Base interactions energy: -28.461
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.250
local terms energy: -54.338242
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -93.513180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.513180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.513180 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.070
local terms energy: -54.985815
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -96.975484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.975484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.975484 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.011
local terms energy: -59.534822
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -91.451898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451898 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.498
local terms energy: -57.149357
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -71.176296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.176296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.176296 (E_RNA)
where:
Base-Base interactions energy: -27.691
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.648
local terms energy: -42.837305
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.019128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.019128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.019128 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.014
local terms energy: -46.280169
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -3.105
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -205.140368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140368 (E_RNA)
where:
Base-Base interactions energy: -125.241
where: short stacking energy: -77.131
Base-Backbone interact. energy: 0.279
local terms energy: -80.178625
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -194.978705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.978705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.978705 (E_RNA)
where:
Base-Base interactions energy: -117.785
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.036
local terms energy: -77.157619
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -19.917
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: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -182.935705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.935705 (E_RNA)
where:
Base-Base interactions energy: -102.945
where: short stacking energy: -61.050
Base-Backbone interact. energy: 0.213
local terms energy: -80.203985
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -18.749
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -115.283145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.283145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.283145 (E_RNA)
where:
Base-Base interactions energy: -59.956
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.012
local terms energy: -55.315544
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -104.210775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.210775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.210775 (E_RNA)
where:
Base-Base interactions energy: -47.457
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.154
local terms energy: -56.600399
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -88.569928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569928 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -29.630
Base-Backbone interact. energy: -0.117
local terms energy: -54.331515
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -107.126056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.126056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.126056 (E_RNA)
where:
Base-Base interactions energy: -53.725
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.818
local terms energy: -52.582936
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -90.228354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.228354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.228354 (E_RNA)
where:
Base-Base interactions energy: -35.770
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.077
local terms energy: -54.382102
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -80.353681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.353681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.353681 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.192
local terms energy: -46.697525
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -7.044
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: 94
Temperature: 1.350000
Total energy: -83.477578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477578 (E_RNA)
where:
Base-Base interactions energy: -33.111
where: short stacking energy: -19.677
Base-Backbone interact. energy: 0.225
local terms energy: -50.592149
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -196.034327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.034327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034327 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.035
local terms energy: -73.819417
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -191.763766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.763766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.763766 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.001
local terms energy: -70.894075
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -171.625363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.625363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.625363 (E_RNA)
where:
Base-Base interactions energy: -104.477
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.204
local terms energy: -66.944767
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -111.053422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.053422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.053422 (E_RNA)
where:
Base-Base interactions energy: -59.382
where: short stacking energy: -40.749
Base-Backbone interact. energy: 0.841
local terms energy: -52.512057
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.058
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: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -98.310912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.310912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.310912 (E_RNA)
where:
Base-Base interactions energy: -41.408
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.155
local terms energy: -56.747738
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -98.252604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.252604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.252604 (E_RNA)
where:
Base-Base interactions energy: -44.615
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.597
local terms energy: -53.040461
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -82.051292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051292 (E_RNA)
where:
Base-Base interactions energy: -26.487
where: short stacking energy: -26.487
Base-Backbone interact. energy: 1.439
local terms energy: -57.003901
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -93.648818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648818 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -34.355
Base-Backbone interact. energy: -0.146
local terms energy: -55.204654
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.625
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: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -81.338580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.338580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.338580 (E_RNA)
where:
Base-Base interactions energy: -22.315
where: short stacking energy: -22.315
Base-Backbone interact. energy: -0.637
local terms energy: -58.386146
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -11.328
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: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -73.483167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.483167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.483167 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -21.556
Base-Backbone interact. energy: -0.593
local terms energy: -43.604755
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -200.008155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.008155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.008155 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.001
local terms energy: -78.622587
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -201.386935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.386935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.386935 (E_RNA)
where:
Base-Base interactions energy: -121.995
where: short stacking energy: -73.246
Base-Backbone interact. energy: -0.081
local terms energy: -79.311401
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -120.703521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.703521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.703521 (E_RNA)
where:
Base-Base interactions energy: -57.342
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.234
local terms energy: -63.127249
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -174.251960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.251960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.251960 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -64.135
Base-Backbone interact. energy: -0.004
local terms energy: -59.981238
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -115.713699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.713699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.713699 (E_RNA)
where:
Base-Base interactions energy: -45.661
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.008
local terms energy: -70.045181
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -11.947
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -92.988618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988618 (E_RNA)
where:
Base-Base interactions energy: -44.254
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.137
local terms energy: -48.598132
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -7.311
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -2.375
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: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -97.541310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.541310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.541310 (E_RNA)
where:
Base-Base interactions energy: -43.299
where: short stacking energy: -43.299
Base-Backbone interact. energy: -0.117
local terms energy: -54.125195
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.058
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: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -77.069560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.069560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.069560 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.784
local terms energy: -48.388286
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.198
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: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.340039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.340039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.340039 (E_RNA)
where:
Base-Base interactions energy: -33.610
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.041
local terms energy: -50.689299
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -7.586
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: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -75.789758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.789758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.789758 (E_RNA)
where:
Base-Base interactions energy: -23.830
where: short stacking energy: -19.869
Base-Backbone interact. energy: -0.210
local terms energy: -51.750181
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -201.580361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.580361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.580361 (E_RNA)
where:
Base-Base interactions energy: -118.353
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.012
local terms energy: -83.214847
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -197.069505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069505 (E_RNA)
where:
Base-Base interactions energy: -121.146
where: short stacking energy: -74.297
Base-Backbone interact. energy: 0.729
local terms energy: -76.652291
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -140.616613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.616613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.616613 (E_RNA)
where:
Base-Base interactions energy: -69.016
where: short stacking energy: -51.728
Base-Backbone interact. energy: -0.040
local terms energy: -71.560854
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -152.583510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.583510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.583510 (E_RNA)
where:
Base-Base interactions energy: -83.094
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.016
local terms energy: -69.472787
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -11.675
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: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -176.973028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973028 (E_RNA)
where:
Base-Base interactions energy: -106.654
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.016
local terms energy: -70.302265
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -95.607393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.607393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.607393 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.527
local terms energy: -54.423352
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -8.179
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: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -87.707630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707630 (E_RNA)
where:
Base-Base interactions energy: -44.088
where: short stacking energy: -34.144
Base-Backbone interact. energy: 2.247
local terms energy: -45.866058
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -7.230
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -87.859147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.859147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.859147 (E_RNA)
where:
Base-Base interactions energy: -41.936
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.259
local terms energy: -45.663527
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -9.415
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: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -89.683382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.683382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.683382 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -39.208
Base-Backbone interact. energy: -0.094
local terms energy: -50.181655
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -4.746
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: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -73.227619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.227619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.227619 (E_RNA)
where:
Base-Base interactions energy: -26.161
where: short stacking energy: -26.161
Base-Backbone interact. energy: -0.025
local terms energy: -47.041231
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -197.608663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.608663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.608663 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.014
local terms energy: -75.019433
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -197.194421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.194421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.194421 (E_RNA)
where:
Base-Base interactions energy: -122.668
where: short stacking energy: -67.683
Base-Backbone interact. energy: 0.079
local terms energy: -74.605215
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -141.658896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.658896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.658896 (E_RNA)
where:
Base-Base interactions energy: -71.575
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.139
local terms energy: -69.944648
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -158.823767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.823767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.823767 (E_RNA)
where:
Base-Base interactions energy: -89.853
where: short stacking energy: -43.947
Base-Backbone interact. energy: -0.214
local terms energy: -68.757133
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -123.938692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.938692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.938692 (E_RNA)
where:
Base-Base interactions energy: -69.573
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.540
local terms energy: -53.825408
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -106.587578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.587578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.587578 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.698
local terms energy: -56.254790
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -87.318394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.318394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.318394 (E_RNA)
where:
Base-Base interactions energy: -36.319
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.698
local terms energy: -50.301787
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -87.708301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.708301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.708301 (E_RNA)
where:
Base-Base interactions energy: -44.317
where: short stacking energy: -21.659
Base-Backbone interact. energy: 0.022
local terms energy: -43.413809
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -10.331
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -107.122798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.122798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.122798 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.098
local terms energy: -59.041160
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -6.247
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: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -86.842605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842605 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -26.916
Base-Backbone interact. energy: -0.089
local terms energy: -56.680229
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -6.388
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: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -204.373647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.373647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.373647 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.002
local terms energy: -82.070857
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -186.520492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.520492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.520492 (E_RNA)
where:
Base-Base interactions energy: -114.078
where: short stacking energy: -67.076
Base-Backbone interact. energy: 2.298
local terms energy: -74.739588
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -154.969735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.969735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.969735 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -52.676
Base-Backbone interact. energy: 1.289
local terms energy: -67.462299
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.437
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -164.572660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572660 (E_RNA)
where:
Base-Base interactions energy: -95.338
where: short stacking energy: -45.804
Base-Backbone interact. energy: -1.369
local terms energy: -67.864980
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.966
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: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -99.201722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.201722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.201722 (E_RNA)
where:
Base-Base interactions energy: -46.717
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.564
local terms energy: -51.920728
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -94.125132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.125132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.125132 (E_RNA)
where:
Base-Base interactions energy: -44.656
where: short stacking energy: -32.584
Base-Backbone interact. energy: -2.126
local terms energy: -47.343405
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -90.895307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.895307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.895307 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.086
local terms energy: -51.324489
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -5.204
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: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -92.878885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.878885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.878885 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.443
local terms energy: -55.602441
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -81.883162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.883162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.883162 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -25.139
Base-Backbone interact. energy: 0.798
local terms energy: -50.494890
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -105.554100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.554100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.554100 (E_RNA)
where:
Base-Base interactions energy: -52.175
where: short stacking energy: -28.595
Base-Backbone interact. energy: -0.033
local terms energy: -53.345426
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -3.779
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: 100
Temperature: 0.900000
Total energy: -202.893072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.893072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.893072 (E_RNA)
where:
Base-Base interactions energy: -121.946
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.234
local terms energy: -80.713061
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -196.489354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.489354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.489354 (E_RNA)
where:
Base-Base interactions energy: -127.444
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.033
local terms energy: -69.012680
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -154.499306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.499306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.499306 (E_RNA)
where:
Base-Base interactions energy: -85.501
where: short stacking energy: -49.466
Base-Backbone interact. energy: 0.292
local terms energy: -69.289657
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.609
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: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -144.412499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.412499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.412499 (E_RNA)
where:
Base-Base interactions energy: -85.975
where: short stacking energy: -38.338
Base-Backbone interact. energy: -2.016
local terms energy: -56.421665
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -98.063861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.063861 (E_RNA)
where:
Base-Base interactions energy: -51.421
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.043
local terms energy: -46.599839
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -95.555375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555375 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.699
local terms energy: -58.873019
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -98.657279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657279 (E_RNA)
where:
Base-Base interactions energy: -41.925
where: short stacking energy: -41.925
Base-Backbone interact. energy: -0.005
local terms energy: -56.727097
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -96.309638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309638 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -39.881
Base-Backbone interact. energy: -0.031
local terms energy: -56.397335
where:
bonds (distance) C4'-P energy: -6.675
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -77.209098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.209098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.209098 (E_RNA)
where:
Base-Base interactions energy: -27.601
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.576
local terms energy: -49.031784
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -78.793684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.793684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.793684 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.143
local terms energy: -39.210290
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -207.132685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132685 (E_RNA)
where:
Base-Base interactions energy: -128.540
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.009
local terms energy: -78.583297
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -18.920
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: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -192.084405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084405 (E_RNA)
where:
Base-Base interactions energy: -113.627
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.001
local terms energy: -78.455695
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -126.504902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.504902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.504902 (E_RNA)
where:
Base-Base interactions energy: -61.676
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.002
local terms energy: -64.827190
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -10.776
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -167.338995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.338995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.338995 (E_RNA)
where:
Base-Base interactions energy: -100.799
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.067
local terms energy: -66.472645
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -102.139545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.139545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.139545 (E_RNA)
where:
Base-Base interactions energy: -39.927
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.000
local terms energy: -62.212426
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -106.758259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.758259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.758259 (E_RNA)
where:
Base-Base interactions energy: -47.824
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.002
local terms energy: -58.932735
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -95.929902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.929902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.929902 (E_RNA)
where:
Base-Base interactions energy: -32.403
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.104
local terms energy: -63.423282
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -79.654260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.654260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.654260 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.836
local terms energy: -44.819820
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -85.494583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.494583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.494583 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -18.554
Base-Backbone interact. energy: -0.294
local terms energy: -46.809536
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: 6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -80.243131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243131 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.081
local terms energy: -46.951149
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -202.450309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.450309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.450309 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.561
local terms energy: -81.778901
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -198.902528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.902528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.902528 (E_RNA)
where:
Base-Base interactions energy: -118.233
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.018
local terms energy: -80.651577
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -168.884362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.884362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.884362 (E_RNA)
where:
Base-Base interactions energy: -104.864
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.264
local terms energy: -63.756553
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.509
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: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -110.940728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.940728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.940728 (E_RNA)
where:
Base-Base interactions energy: -59.304
where: short stacking energy: -37.396
Base-Backbone interact. energy: -1.554
local terms energy: -50.082745
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -118.631595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.631595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.631595 (E_RNA)
where:
Base-Base interactions energy: -52.480
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.208
local terms energy: -65.944375
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -92.600488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.600488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.600488 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -29.517
Base-Backbone interact. energy: -0.063
local terms energy: -62.886787
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -2.929
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: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -88.633691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633691 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.204
local terms energy: -48.397361
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -1.390
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.290234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.290234 (E_RNA)
where:
Base-Base interactions energy: -39.072
where: short stacking energy: -39.072
Base-Backbone interact. energy: -0.005
local terms energy: -53.213551
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -88.262177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.262177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.262177 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.056
local terms energy: -49.875421
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -89.853505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.853505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.853505 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -25.422
Base-Backbone interact. energy: -0.176
local terms energy: -56.578024
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -4.713
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: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -204.539103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.539103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.539103 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -68.933
Base-Backbone interact. energy: -0.008
local terms energy: -87.230380
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -205.091708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.091708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.091708 (E_RNA)
where:
Base-Base interactions energy: -133.018
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.087
local terms energy: -71.987585
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.635
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: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -171.732435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.732435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.732435 (E_RNA)
where:
Base-Base interactions energy: -110.389
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.152
local terms energy: -61.192050
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -132.847736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.847736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.847736 (E_RNA)
where:
Base-Base interactions energy: -74.994
where: short stacking energy: -47.256
Base-Backbone interact. energy: -1.955
local terms energy: -55.898324
where:
bonds (distance) C4'-P energy: -8.444
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -10.452
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -100.811974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811974 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -40.462
Base-Backbone interact. energy: -1.009
local terms energy: -58.773120
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -106.605036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.605036 (E_RNA)
where:
Base-Base interactions energy: -54.841
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.097
local terms energy: -51.666461
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -86.685201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.685201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.685201 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.253
local terms energy: -54.133169
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.663
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: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -83.280402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280402 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.365
local terms energy: -50.248297
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -7.901
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -75.287106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.287106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.287106 (E_RNA)
where:
Base-Base interactions energy: -30.301
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.046
local terms energy: -44.940560
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -92.826415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826415 (E_RNA)
where:
Base-Base interactions energy: -48.086
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.961
local terms energy: -43.779606
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -2.833
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: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -199.470094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.470094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.470094 (E_RNA)
where:
Base-Base interactions energy: -121.937
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.271
local terms energy: -77.261659
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.326
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -195.614648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.614648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614648 (E_RNA)
where:
Base-Base interactions energy: -120.962
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.078
local terms energy: -74.574481
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -19.298
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -182.164552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.164552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.164552 (E_RNA)
where:
Base-Base interactions energy: -116.638
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.108
local terms energy: -65.418531
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -118.984711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.984711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.984711 (E_RNA)
where:
Base-Base interactions energy: -63.174
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.720
local terms energy: -55.089863
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.230
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: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -111.691696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.691696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.691696 (E_RNA)
where:
Base-Base interactions energy: -50.320
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.153
local terms energy: -61.218152
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -11.850
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: 104
Temperature: 1.150000
Total energy: -90.390777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390777 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.865
local terms energy: -50.837995
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -10.996
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: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -97.830721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.830721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.830721 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.186
local terms energy: -50.202895
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -79.928729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.928729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.928729 (E_RNA)
where:
Base-Base interactions energy: -24.948
where: short stacking energy: -20.521
Base-Backbone interact. energy: -0.292
local terms energy: -54.688473
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -75.545074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.545074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.545074 (E_RNA)
where:
Base-Base interactions energy: -24.876
where: short stacking energy: -14.714
Base-Backbone interact. energy: -0.272
local terms energy: -50.396736
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.254
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: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -75.287776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.287776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.287776 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -32.318
Base-Backbone interact. energy: -0.202
local terms energy: -42.767460
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: 4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -199.765242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.765242 (E_RNA)
where:
Base-Base interactions energy: -119.091
where: short stacking energy: -72.084
Base-Backbone interact. energy: -0.064
local terms energy: -80.610251
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -189.578920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.578920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.578920 (E_RNA)
where:
Base-Base interactions energy: -117.533
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.219
local terms energy: -71.826902
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -183.249275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.249275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.249275 (E_RNA)
where:
Base-Base interactions energy: -109.568
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.004
local terms energy: -73.677454
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -103.588347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.588347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.588347 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -30.886
Base-Backbone interact. energy: -0.100
local terms energy: -63.630401
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -97.801394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.801394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.801394 (E_RNA)
where:
Base-Base interactions energy: -35.449
where: short stacking energy: -34.450
Base-Backbone interact. energy: 0.324
local terms energy: -62.676156
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -102.909113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.909113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.909113 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.214
local terms energy: -60.807048
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -5.710
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: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -103.006673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.006673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.006673 (E_RNA)
where:
Base-Base interactions energy: -53.030
where: short stacking energy: -43.981
Base-Backbone interact. energy: 0.066
local terms energy: -50.042853
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -6.267
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: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -85.345984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.345984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.345984 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.122
local terms energy: -46.925802
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -1.225
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -84.496585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.496585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.496585 (E_RNA)
where:
Base-Base interactions energy: -29.669
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.115
local terms energy: -54.712493
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -79.330831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330831 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -22.848
Base-Backbone interact. energy: -0.573
local terms energy: -38.139194
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -5.307
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -189.965019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.965019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.965019 (E_RNA)
where:
Base-Base interactions energy: -117.669
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.377
local terms energy: -71.919530
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -10.383
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: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -182.285805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.285805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.285805 (E_RNA)
where:
Base-Base interactions energy: -108.117
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.881
local terms energy: -73.288134
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.803
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -187.171108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.171108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.171108 (E_RNA)
where:
Base-Base interactions energy: -110.368
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.001
local terms energy: -76.802322
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -110.850090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.850090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.850090 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.003
local terms energy: -61.614177
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -8.602
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -108.012517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.012517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.012517 (E_RNA)
where:
Base-Base interactions energy: -50.729
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.517
local terms energy: -56.766704
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -12.308
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: 106
Temperature: 1.150000
Total energy: -99.275625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275625 (E_RNA)
where:
Base-Base interactions energy: -52.918
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.330
local terms energy: -46.028187
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -0.122
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -93.850385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850385 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.102
local terms energy: -58.787453
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -95.552406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552406 (E_RNA)
where:
Base-Base interactions energy: -45.976
where: short stacking energy: -31.365
Base-Backbone interact. energy: 2.645
local terms energy: -52.220928
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -96.213861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.213861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.213861 (E_RNA)
where:
Base-Base interactions energy: -41.879
where: short stacking energy: -29.537
Base-Backbone interact. energy: -0.251
local terms energy: -54.083654
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -8.736
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: 106
Temperature: 1.350000
Total energy: -77.429662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429662 (E_RNA)
where:
Base-Base interactions energy: -24.821
where: short stacking energy: -22.920
Base-Backbone interact. energy: -1.105
local terms energy: -51.504372
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -182.570760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.570760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.570760 (E_RNA)
where:
Base-Base interactions energy: -106.422
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.130
local terms energy: -76.018963
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -194.343000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.343000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.343000 (E_RNA)
where:
Base-Base interactions energy: -115.338
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.080
local terms energy: -78.925868
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -160.292912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.292912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.292912 (E_RNA)
where:
Base-Base interactions energy: -88.764
where: short stacking energy: -44.294
Base-Backbone interact. energy: -1.767
local terms energy: -69.762044
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -12.839
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: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -137.750985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.750985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.750985 (E_RNA)
where:
Base-Base interactions energy: -72.294
where: short stacking energy: -42.008
Base-Backbone interact. energy: -0.162
local terms energy: -65.294965
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -143.990922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.990922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.990922 (E_RNA)
where:
Base-Base interactions energy: -90.432
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.061
local terms energy: -53.498128
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -8.159
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: 107
Temperature: 1.150000
Total energy: -109.859709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.859709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.859709 (E_RNA)
where:
Base-Base interactions energy: -53.276
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.010
local terms energy: -56.573522
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -90.908296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908296 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.210
local terms energy: -55.279727
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -9.920
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: 107
Temperature: 1.250000
Total energy: -78.061409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.061409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.061409 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -19.797
Base-Backbone interact. energy: -0.139
local terms energy: -43.820927
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -95.238896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.238896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.238896 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -25.983
Base-Backbone interact. energy: -0.480
local terms energy: -51.563836
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -70.380616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.380616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.380616 (E_RNA)
where:
Base-Base interactions energy: -31.928
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.256
local terms energy: -38.197212
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -7.106
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: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -194.735174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.735174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.735174 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -72.131
Base-Backbone interact. energy: 0.248
local terms energy: -78.791806
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.164
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: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -182.636748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.636748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.636748 (E_RNA)
where:
Base-Base interactions energy: -106.347
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.042
local terms energy: -76.247874
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -148.354838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.354838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.354838 (E_RNA)
where:
Base-Base interactions energy: -84.488
where: short stacking energy: -50.183
Base-Backbone interact. energy: -0.961
local terms energy: -62.906415
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.428
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: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -99.402891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.402891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.402891 (E_RNA)
where:
Base-Base interactions energy: -41.036
where: short stacking energy: -40.226
Base-Backbone interact. energy: -0.097
local terms energy: -58.270293
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -139.308253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.308253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.308253 (E_RNA)
where:
Base-Base interactions energy: -84.320
where: short stacking energy: -46.681
Base-Backbone interact. energy: -0.755
local terms energy: -54.232956
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -8.808
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: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -99.397846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.397846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.397846 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.149
local terms energy: -54.547677
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -91.563130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.563130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.563130 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.239
local terms energy: -51.482023
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -90.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.224669 (E_RNA)
where:
Base-Base interactions energy: -46.830
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.433
local terms energy: -42.961186
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -84.071702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071702 (E_RNA)
where:
Base-Base interactions energy: -23.240
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.359
local terms energy: -60.472895
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -67.135608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.135608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.135608 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -21.379
Base-Backbone interact. energy: -0.329
local terms energy: -35.581983
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -7.091
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: 2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -195.193876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.193876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.193876 (E_RNA)
where:
Base-Base interactions energy: -118.891
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.061
local terms energy: -76.241455
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -177.214193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214193 (E_RNA)
where:
Base-Base interactions energy: -109.476
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.185
local terms energy: -67.553038
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -8.889
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -151.029791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.029791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.029791 (E_RNA)
where:
Base-Base interactions energy: -86.431
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.540
local terms energy: -64.058474
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.228
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -124.085569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.085569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.085569 (E_RNA)
where:
Base-Base interactions energy: -64.860
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.068
local terms energy: -59.157325
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -97.687114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.687114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.687114 (E_RNA)
where:
Base-Base interactions energy: -46.027
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.259
local terms energy: -51.401131
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -83.256634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.256634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.256634 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -33.180
Base-Backbone interact. energy: 1.961
local terms energy: -50.481792
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -88.317265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317265 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.093
local terms energy: -55.777056
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -75.692968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.692968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.692968 (E_RNA)
where:
Base-Base interactions energy: -18.906
where: short stacking energy: -18.906
Base-Backbone interact. energy: 1.307
local terms energy: -58.094498
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.523
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: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -90.129899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129899 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.110
local terms energy: -54.227607
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.766
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -74.832635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.832635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.832635 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -21.424
Base-Backbone interact. energy: -0.129
local terms energy: -33.902597
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -7.822
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -190.186156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.186156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.186156 (E_RNA)
where:
Base-Base interactions energy: -120.970
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.016
local terms energy: -69.200577
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -189.482835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.482835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.482835 (E_RNA)
where:
Base-Base interactions energy: -121.040
where: short stacking energy: -50.231
Base-Backbone interact. energy: -0.447
local terms energy: -67.996073
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -151.030726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.030726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.030726 (E_RNA)
where:
Base-Base interactions energy: -85.790
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.860
local terms energy: -64.380007
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -13.040
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: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -131.533806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.533806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.533806 (E_RNA)
where:
Base-Base interactions energy: -74.028
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.087
local terms energy: -57.419757
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -112.578491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.578491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.578491 (E_RNA)
where:
Base-Base interactions energy: -52.308
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.218
local terms energy: -60.052444
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -9.178
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: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -88.823234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823234 (E_RNA)
where:
Base-Base interactions energy: -40.551
where: short stacking energy: -18.885
Base-Backbone interact. energy: -0.850
local terms energy: -47.422296
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -100.570465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.570465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.570465 (E_RNA)
where:
Base-Base interactions energy: -44.004
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.054
local terms energy: -56.512488
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -90.444185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444185 (E_RNA)
where:
Base-Base interactions energy: -34.360
where: short stacking energy: -24.392
Base-Backbone interact. energy: 0.047
local terms energy: -56.131161
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -91.572124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.572124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.572124 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.190
local terms energy: -58.717347
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -77.076910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.076910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.076910 (E_RNA)
where:
Base-Base interactions energy: -34.262
where: short stacking energy: -22.146
Base-Backbone interact. energy: 0.081
local terms energy: -42.896220
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -194.030947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.030947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.030947 (E_RNA)
where:
Base-Base interactions energy: -115.506
where: short stacking energy: -69.919
Base-Backbone interact. energy: -0.006
local terms energy: -78.518790
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -14.497
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: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -178.453155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.453155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.453155 (E_RNA)
where:
Base-Base interactions energy: -107.314
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.174
local terms energy: -70.964379
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -151.402798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.402798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.402798 (E_RNA)
where:
Base-Base interactions energy: -90.497
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.144
local terms energy: -60.762448
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -115.778361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.778361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.778361 (E_RNA)
where:
Base-Base interactions energy: -56.838
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.050
local terms energy: -58.889765
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.072
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: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -102.304405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.304405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.304405 (E_RNA)
where:
Base-Base interactions energy: -45.640
where: short stacking energy: -29.576
Base-Backbone interact. energy: 0.598
local terms energy: -57.261917
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -1.786
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: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -100.278887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278887 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.078
local terms energy: -58.158738
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -87.985051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985051 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -40.143
Base-Backbone interact. energy: 2.605
local terms energy: -50.446506
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -6.598
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: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -90.858551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858551 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.196
local terms energy: -58.849355
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -81.521440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.521440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.521440 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -24.504
Base-Backbone interact. energy: -0.296
local terms energy: -45.821591
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: 3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -82.153568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153568 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.024
local terms energy: -38.112483
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -191.606989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.606989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.606989 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.173
local terms energy: -74.075694
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -196.621398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.621398 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.007
local terms energy: -81.374523
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -161.601031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.601031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.601031 (E_RNA)
where:
Base-Base interactions energy: -101.782
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.408
local terms energy: -59.411113
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -114.604815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.604815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.604815 (E_RNA)
where:
Base-Base interactions energy: -49.413
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.021
local terms energy: -65.171000
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -112.812034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.812034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.812034 (E_RNA)
where:
Base-Base interactions energy: -59.109
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.134
local terms energy: -53.568556
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -86.798586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798586 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -36.933
Base-Backbone interact. energy: 1.127
local terms energy: -45.620046
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -5.693
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -89.529227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.529227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.529227 (E_RNA)
where:
Base-Base interactions energy: -36.851
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.907
local terms energy: -51.771405
where:
bonds (distance) C4'-P energy: -6.056
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.441
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: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -101.952570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.952570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.952570 (E_RNA)
where:
Base-Base interactions energy: -47.900
where: short stacking energy: -47.900
Base-Backbone interact. energy: -0.067
local terms energy: -53.986356
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -5.922
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: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -84.460027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460027 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.017
local terms energy: -59.821764
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.517
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -68.766441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.766441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.766441 (E_RNA)
where:
Base-Base interactions energy: -24.760
where: short stacking energy: -19.632
Base-Backbone interact. energy: -0.207
local terms energy: -43.799539
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -185.070043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.070043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.070043 (E_RNA)
where:
Base-Base interactions energy: -117.966
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.318
local terms energy: -66.785491
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -10.730
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -193.829764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.829764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.829764 (E_RNA)
where:
Base-Base interactions energy: -113.702
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.040
local terms energy: -80.088034
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -151.084961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.084961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.084961 (E_RNA)
where:
Base-Base interactions energy: -91.709
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.214
local terms energy: -59.162134
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -119.847870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.847870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.847870 (E_RNA)
where:
Base-Base interactions energy: -59.039
where: short stacking energy: -41.695
Base-Backbone interact. energy: 0.018
local terms energy: -60.826540
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -114.778711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.778711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.778711 (E_RNA)
where:
Base-Base interactions energy: -54.125
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.820
local terms energy: -59.834120
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -93.393488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.393488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.393488 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -35.384
Base-Backbone interact. energy: -0.004
local terms energy: -57.533784
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -89.517552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517552 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.144
local terms energy: -51.193450
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -5.622
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -100.755119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.755119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.755119 (E_RNA)
where:
Base-Base interactions energy: -50.103
where: short stacking energy: -36.422
Base-Backbone interact. energy: -0.127
local terms energy: -50.524764
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -83.368471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.368471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.368471 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -22.507
Base-Backbone interact. energy: -0.122
local terms energy: -60.049987
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -4.621
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: 113
Temperature: 1.350000
Total energy: -80.170823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170823 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -29.996
Base-Backbone interact. energy: 0.078
local terms energy: -49.589733
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -194.583029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583029 (E_RNA)
where:
Base-Base interactions energy: -115.884
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.057
local terms energy: -78.641965
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -183.382519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382519 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.382
local terms energy: -75.093574
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -135.729143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.729143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.729143 (E_RNA)
where:
Base-Base interactions energy: -73.682
where: short stacking energy: -54.428
Base-Backbone interact. energy: -1.507
local terms energy: -60.540170
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -112.246156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.246156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.246156 (E_RNA)
where:
Base-Base interactions energy: -51.657
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.026
local terms energy: -60.563153
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -110.337878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.337878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.337878 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -41.178
Base-Backbone interact. energy: -0.003
local terms energy: -67.627821
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -12.206
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: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -96.787848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.787848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.787848 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.064
local terms energy: -54.626789
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -96.314774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.314774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.314774 (E_RNA)
where:
Base-Base interactions energy: -42.823
where: short stacking energy: -31.512
Base-Backbone interact. energy: -0.981
local terms energy: -52.510477
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -4.603
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: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -89.033686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.033686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.033686 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -21.330
Base-Backbone interact. energy: -0.078
local terms energy: -54.880613
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -80.475466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.475466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.475466 (E_RNA)
where:
Base-Base interactions energy: -26.926
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.788
local terms energy: -52.762282
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -87.077446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.077446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.077446 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -24.763
Base-Backbone interact. energy: 1.294
local terms energy: -57.121269
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -197.576099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.576099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.576099 (E_RNA)
where:
Base-Base interactions energy: -119.812
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.624
local terms energy: -77.140538
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -165.042122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.042122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.042122 (E_RNA)
where:
Base-Base interactions energy: -100.014
where: short stacking energy: -44.844
Base-Backbone interact. energy: -0.489
local terms energy: -64.539407
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -137.446483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.446483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.446483 (E_RNA)
where:
Base-Base interactions energy: -68.441
where: short stacking energy: -48.687
Base-Backbone interact. energy: -0.115
local terms energy: -68.890988
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -102.019930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.019930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.019930 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.093
local terms energy: -55.962228
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -98.485360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.485360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.485360 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -32.897
Base-Backbone interact. energy: 0.063
local terms energy: -64.859452
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -107.212828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.212828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.212828 (E_RNA)
where:
Base-Base interactions energy: -46.009
where: short stacking energy: -18.833
Base-Backbone interact. energy: 0.459
local terms energy: -61.663202
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -2.722
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: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -88.283385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.283385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.283385 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.289
local terms energy: -48.178776
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.683162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683162 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.150
local terms energy: -49.984138
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -79.540999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.540999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.540999 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -24.860
Base-Backbone interact. energy: -0.030
local terms energy: -51.955633
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -77.396021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.396021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.396021 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -25.586
Base-Backbone interact. energy: -0.118
local terms energy: -44.733451
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -192.231654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.231654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.231654 (E_RNA)
where:
Base-Base interactions energy: -112.170
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.050
local terms energy: -80.011370
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -17.371
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -157.435355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.435355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.435355 (E_RNA)
where:
Base-Base interactions energy: -90.545
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.482
local terms energy: -66.407693
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -138.721267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.721267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.721267 (E_RNA)
where:
Base-Base interactions energy: -73.362
where: short stacking energy: -48.803
Base-Backbone interact. energy: -0.230
local terms energy: -65.130084
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -14.345
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -107.089506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.089506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.089506 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.052
local terms energy: -62.986531
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -102.733781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.733781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.733781 (E_RNA)
where:
Base-Base interactions energy: -42.425
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.074
local terms energy: -60.234422
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -105.797174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.797174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.797174 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -21.296
Base-Backbone interact. energy: -0.966
local terms energy: -51.652118
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -83.862786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.862786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.862786 (E_RNA)
where:
Base-Base interactions energy: -32.873
where: short stacking energy: -32.873
Base-Backbone interact. energy: -0.226
local terms energy: -50.764187
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -83.563889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563889 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.506
local terms energy: -48.385389
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -8.608
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -78.911510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.911510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.911510 (E_RNA)
where:
Base-Base interactions energy: -30.853
where: short stacking energy: -22.964
Base-Backbone interact. energy: -0.326
local terms energy: -47.731639
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -78.362318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.362318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.362318 (E_RNA)
where:
Base-Base interactions energy: -27.405
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.894
local terms energy: -50.063036
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -203.148629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.148629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.148629 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -64.583
Base-Backbone interact. energy: -1.437
local terms energy: -86.313837
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -163.833773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833773 (E_RNA)
where:
Base-Base interactions energy: -99.351
where: short stacking energy: -48.007
Base-Backbone interact. energy: 0.942
local terms energy: -65.424678
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -11.817
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -136.928798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.928798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.928798 (E_RNA)
where:
Base-Base interactions energy: -77.388
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.618
local terms energy: -58.923680
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -113.164801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.164801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.164801 (E_RNA)
where:
Base-Base interactions energy: -60.218
where: short stacking energy: -30.764
Base-Backbone interact. energy: -0.143
local terms energy: -52.804014
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -3.578
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: 117
Temperature: 1.100000
Total energy: -108.568510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.568510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.568510 (E_RNA)
where:
Base-Base interactions energy: -42.814
where: short stacking energy: -42.814
Base-Backbone interact. energy: -0.132
local terms energy: -65.622662
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -99.317835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.317835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.317835 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.332
local terms energy: -61.639044
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -97.506751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.506751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.506751 (E_RNA)
where:
Base-Base interactions energy: -37.218
where: short stacking energy: -27.098
Base-Backbone interact. energy: -0.083
local terms energy: -60.205769
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -89.059863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059863 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.108
local terms energy: -51.205279
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.410
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -88.924416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.924416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.924416 (E_RNA)
where:
Base-Base interactions energy: -47.115
where: short stacking energy: -25.414
Base-Backbone interact. energy: 0.206
local terms energy: -42.014991
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -80.537383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.537383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.537383 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -22.662
Base-Backbone interact. energy: 0.491
local terms energy: -53.429282
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -198.568882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.568882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.568882 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -76.063
Base-Backbone interact. energy: 0.152
local terms energy: -76.924711
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -158.112394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.112394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.112394 (E_RNA)
where:
Base-Base interactions energy: -96.603
where: short stacking energy: -58.479
Base-Backbone interact. energy: 0.736
local terms energy: -62.244912
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -113.263250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.263250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.263250 (E_RNA)
where:
Base-Base interactions energy: -50.211
where: short stacking energy: -34.090
Base-Backbone interact. energy: -0.018
local terms energy: -63.033589
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -6.623
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: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -104.396196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.396196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.396196 (E_RNA)
where:
Base-Base interactions energy: -49.880
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.374
local terms energy: -54.142124
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.571
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: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -108.810547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.810547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.810547 (E_RNA)
where:
Base-Base interactions energy: -51.144
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.017
local terms energy: -57.649598
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -98.702381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702381 (E_RNA)
where:
Base-Base interactions energy: -44.089
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.102
local terms energy: -54.511585
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.175
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -82.572641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572641 (E_RNA)
where:
Base-Base interactions energy: -38.600
where: short stacking energy: -30.892
Base-Backbone interact. energy: 0.531
local terms energy: -44.503069
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: 0.229
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: 118
Temperature: 1.250000
Total energy: -86.856323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856323 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.027
local terms energy: -54.112677
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -79.266889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.266889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.266889 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.330
local terms energy: -48.434539
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -81.783437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.783437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.783437 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -23.435
Base-Backbone interact. energy: -0.086
local terms energy: -39.718943
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -0.944
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: 119
Temperature: 0.900000
Total energy: -189.410288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.410288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.410288 (E_RNA)
where:
Base-Base interactions energy: -117.419
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.998
local terms energy: -70.992857
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -137.986810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.986810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.986810 (E_RNA)
where:
Base-Base interactions energy: -73.378
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.058
local terms energy: -64.550824
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -12.638
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -165.204303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.204303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.204303 (E_RNA)
where:
Base-Base interactions energy: -90.582
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.018
local terms energy: -74.604087
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -115.345027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.345027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.345027 (E_RNA)
where:
Base-Base interactions energy: -58.916
where: short stacking energy: -45.889
Base-Backbone interact. energy: -0.234
local terms energy: -56.195163
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -112.549706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.549706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.549706 (E_RNA)
where:
Base-Base interactions energy: -53.614
where: short stacking energy: -48.106
Base-Backbone interact. energy: -0.186
local terms energy: -58.750276
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -91.803997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.803997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.803997 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -33.674
Base-Backbone interact. energy: -0.093
local terms energy: -52.571160
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -86.223224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.223224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.223224 (E_RNA)
where:
Base-Base interactions energy: -32.194
where: short stacking energy: -25.284
Base-Backbone interact. energy: -0.640
local terms energy: -53.389269
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -7.114
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -86.359812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.359812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.359812 (E_RNA)
where:
Base-Base interactions energy: -37.547
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.146
local terms energy: -48.666250
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -101.258232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.258232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.258232 (E_RNA)
where:
Base-Base interactions energy: -51.658
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.172
local terms energy: -49.428784
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -5.134
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -86.580951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.580951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.580951 (E_RNA)
where:
Base-Base interactions energy: -30.547
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.014
local terms energy: -56.019857
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -195.894510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.894510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.894510 (E_RNA)
where:
Base-Base interactions energy: -115.745
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.023
local terms energy: -80.126363
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -161.006670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.006670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.006670 (E_RNA)
where:
Base-Base interactions energy: -94.235
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.109
local terms energy: -66.663165
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -131.766308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.766308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.766308 (E_RNA)
where:
Base-Base interactions energy: -72.323
where: short stacking energy: -39.413
Base-Backbone interact. energy: -0.853
local terms energy: -58.590532
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -7.569
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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -119.067105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.067105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.067105 (E_RNA)
where:
Base-Base interactions energy: -51.785
where: short stacking energy: -48.856
Base-Backbone interact. energy: -0.004
local terms energy: -67.277579
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -104.260332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.260332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.260332 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -38.011
Base-Backbone interact. energy: 1.395
local terms energy: -65.696970
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.631
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: 120
Temperature: 1.150000
Total energy: -114.542290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.542290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.542290 (E_RNA)
where:
Base-Base interactions energy: -63.300
where: short stacking energy: -30.636
Base-Backbone interact. energy: 0.008
local terms energy: -51.250128
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -4.354
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: 120
Temperature: 1.200000
Total energy: -89.594782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594782 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -36.612
Base-Backbone interact. energy: 0.282
local terms energy: -53.142470
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -98.972430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.972430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.972430 (E_RNA)
where:
Base-Base interactions energy: -59.260
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.102
local terms energy: -39.611305
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -79.901345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.901345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.901345 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.494
local terms energy: -49.365081
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.447
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -83.277762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.277762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.277762 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -21.866
Base-Backbone interact. energy: 0.740
local terms energy: -56.429477
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -200.183155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.183155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.183155 (E_RNA)
where:
Base-Base interactions energy: -119.724
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.013
local terms energy: -80.447013
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -173.410862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.410862 (E_RNA)
where:
Base-Base interactions energy: -113.396
where: short stacking energy: -49.970
Base-Backbone interact. energy: -0.345
local terms energy: -59.669163
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -10.778
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -137.088085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.088085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.088085 (E_RNA)
where:
Base-Base interactions energy: -71.808
where: short stacking energy: -52.488
Base-Backbone interact. energy: 0.461
local terms energy: -65.740901
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -5.385
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: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -114.916473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.916473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.916473 (E_RNA)
where:
Base-Base interactions energy: -49.631
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.006
local terms energy: -65.279538
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -112.567097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.567097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.567097 (E_RNA)
where:
Base-Base interactions energy: -53.984
where: short stacking energy: -35.944
Base-Backbone interact. energy: -1.506
local terms energy: -57.076950
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -118.131101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.131101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.131101 (E_RNA)
where:
Base-Base interactions energy: -62.691
where: short stacking energy: -44.944
Base-Backbone interact. energy: 0.356
local terms energy: -55.796378
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -107.254766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.254766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.254766 (E_RNA)
where:
Base-Base interactions energy: -56.767
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.621
local terms energy: -49.866010
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -95.308425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308425 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.006
local terms energy: -60.100018
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -91.392599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392599 (E_RNA)
where:
Base-Base interactions energy: -50.478
where: short stacking energy: -28.182
Base-Backbone interact. energy: -0.049
local terms energy: -40.865758
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -2.017
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -76.002619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.002619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.002619 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -21.366
Base-Backbone interact. energy: -0.028
local terms energy: -46.199056
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -1.330
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -204.727828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.727828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.727828 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -70.964
Base-Backbone interact. energy: -0.005
local terms energy: -83.628516
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -168.229365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.229365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.229365 (E_RNA)
where:
Base-Base interactions energy: -94.644
where: short stacking energy: -60.130
Base-Backbone interact. energy: 0.442
local terms energy: -74.026882
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.610
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: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -143.742331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.742331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.742331 (E_RNA)
where:
Base-Base interactions energy: -82.295
where: short stacking energy: -39.432
Base-Backbone interact. energy: -0.714
local terms energy: -60.733403
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -104.626845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.626845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.626845 (E_RNA)
where:
Base-Base interactions energy: -44.400
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.024
local terms energy: -60.203355
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.945
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: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -97.352147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.352147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.352147 (E_RNA)
where:
Base-Base interactions energy: -40.034
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.220
local terms energy: -57.098210
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.104
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: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -105.247480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.247480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.247480 (E_RNA)
where:
Base-Base interactions energy: -48.544
where: short stacking energy: -39.473
Base-Backbone interact. energy: -0.084
local terms energy: -56.619835
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -90.324355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.324355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.324355 (E_RNA)
where:
Base-Base interactions energy: -42.561
where: short stacking energy: -34.668
Base-Backbone interact. energy: -0.115
local terms energy: -47.649124
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.519
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: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -84.392883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.392883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.392883 (E_RNA)
where:
Base-Base interactions energy: -28.767
where: short stacking energy: -22.817
Base-Backbone interact. energy: 0.909
local terms energy: -56.535110
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -75.294236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.294236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.294236 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -18.904
Base-Backbone interact. energy: -1.094
local terms energy: -44.278308
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -80.035507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.035507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.035507 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -13.198
Base-Backbone interact. energy: -0.582
local terms energy: -50.604226
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -203.213477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.213477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.213477 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -71.622
Base-Backbone interact. energy: -1.349
local terms energy: -80.519249
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -185.025092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.025092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.025092 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.118
local terms energy: -65.627684
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -150.041185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.041185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.041185 (E_RNA)
where:
Base-Base interactions energy: -80.719
where: short stacking energy: -46.347
Base-Backbone interact. energy: -0.446
local terms energy: -68.876113
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -106.191810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.191810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.191810 (E_RNA)
where:
Base-Base interactions energy: -47.009
where: short stacking energy: -40.875
Base-Backbone interact. energy: 0.202
local terms energy: -59.385176
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -11.081
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: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -101.991788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.991788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.991788 (E_RNA)
where:
Base-Base interactions energy: -50.028
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.071
local terms energy: -51.892242
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -9.626
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: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -98.057717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.057717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.057717 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -24.519
Base-Backbone interact. energy: -0.224
local terms energy: -63.149478
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -107.727735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.727735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.727735 (E_RNA)
where:
Base-Base interactions energy: -59.854
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.195
local terms energy: -47.678991
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -84.217759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.217759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.217759 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.082
local terms energy: -53.757327
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -86.795235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.795235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.795235 (E_RNA)
where:
Base-Base interactions energy: -44.143
where: short stacking energy: -19.555
Base-Backbone interact. energy: -0.122
local terms energy: -42.530825
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -77.990307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.990307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.990307 (E_RNA)
where:
Base-Base interactions energy: -25.089
where: short stacking energy: -25.089
Base-Backbone interact. energy: -0.227
local terms energy: -52.674345
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -177.819825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.819825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.819825 (E_RNA)
where:
Base-Base interactions energy: -107.810
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.295
local terms energy: -69.714757
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.883
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: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -199.729077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.729077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.729077 (E_RNA)
where:
Base-Base interactions energy: -118.290
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.004
local terms energy: -81.435123
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -151.224432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.224432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.224432 (E_RNA)
where:
Base-Base interactions energy: -87.595
where: short stacking energy: -46.050
Base-Backbone interact. energy: 0.016
local terms energy: -63.645906
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -16.858
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: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -106.035334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.035334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.035334 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -41.570
Base-Backbone interact. energy: -0.117
local terms energy: -64.348169
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -107.764386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.764386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.764386 (E_RNA)
where:
Base-Base interactions energy: -53.972
where: short stacking energy: -32.969
Base-Backbone interact. energy: -1.322
local terms energy: -52.470760
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -105.290730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.290730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.290730 (E_RNA)
where:
Base-Base interactions energy: -43.883
where: short stacking energy: -37.092
Base-Backbone interact. energy: -0.241
local terms energy: -61.167498
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -11.409
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -103.402454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.402454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.402454 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.247
local terms energy: -55.832657
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -83.739994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739994 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.334
local terms energy: -50.498390
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -80.364740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.364740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.364740 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -26.506
Base-Backbone interact. energy: -0.488
local terms energy: -51.392050
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -5.683
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: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -70.293521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.293521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.293521 (E_RNA)
where:
Base-Base interactions energy: -24.879
where: short stacking energy: -23.906
Base-Backbone interact. energy: -0.133
local terms energy: -45.282074
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -4.101
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -190.301934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.301934 (E_RNA)
where:
Base-Base interactions energy: -123.138
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.481
local terms energy: -66.682936
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.338
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: 125
Temperature: 0.950000
Total energy: -192.598043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598043 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.198
local terms energy: -70.816531
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -6.254
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -9.944
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: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -120.265818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.265818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.265818 (E_RNA)
where:
Base-Base interactions energy: -56.093
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.269
local terms energy: -63.904282
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -10.160
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: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -144.806552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.806552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.806552 (E_RNA)
where:
Base-Base interactions energy: -78.399
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.099
local terms energy: -66.308166
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -100.513003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.513003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.513003 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.135
local terms energy: -56.191752
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -10.033
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -95.611173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.611173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.611173 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.154
local terms energy: -61.283986
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -86.908319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.908319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.908319 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -30.165
Base-Backbone interact. energy: 0.501
local terms energy: -50.456847
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -96.340266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.340266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.340266 (E_RNA)
where:
Base-Base interactions energy: -44.251
where: short stacking energy: -35.086
Base-Backbone interact. energy: 4.339
local terms energy: -56.428703
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -6.575
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: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -75.804687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804687 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -12.046
Base-Backbone interact. energy: -0.654
local terms energy: -43.671965
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: 1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -92.725567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.725567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.725567 (E_RNA)
where:
Base-Base interactions energy: -46.743
where: short stacking energy: -24.672
Base-Backbone interact. energy: -0.208
local terms energy: -45.774152
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -5.439
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -11.390
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: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -203.364929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.364929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.364929 (E_RNA)
where:
Base-Base interactions energy: -120.952
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.007
local terms energy: -82.405994
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -22.833
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -190.053051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.053051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.053051 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.123
local terms energy: -73.799696
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -135.726210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.726210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.726210 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -38.353
Base-Backbone interact. energy: -0.298
local terms energy: -60.072324
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -107.351994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.351994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.351994 (E_RNA)
where:
Base-Base interactions energy: -47.290
where: short stacking energy: -47.290
Base-Backbone interact. energy: -0.177
local terms energy: -59.885292
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -91.809148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.809148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.809148 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.259
local terms energy: -58.537270
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -13.984
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: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -100.269335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.269335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.269335 (E_RNA)
where:
Base-Base interactions energy: -43.902
where: short stacking energy: -43.622
Base-Backbone interact. energy: -0.186
local terms energy: -56.181794
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -7.468
flat angles P-C4'-P energy: -9.320
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: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -92.506332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.506332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.506332 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.072
local terms energy: -52.440626
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -85.870567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.870567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.870567 (E_RNA)
where:
Base-Base interactions energy: -28.833
where: short stacking energy: -28.802
Base-Backbone interact. energy: 0.433
local terms energy: -57.470575
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -106.873646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.873646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.873646 (E_RNA)
where:
Base-Base interactions energy: -53.369
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.261
local terms energy: -53.243698
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.819505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819505 (E_RNA)
where:
Base-Base interactions energy: -28.096
where: short stacking energy: -23.149
Base-Backbone interact. energy: -0.717
local terms energy: -49.006503
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -201.489626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.489626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.489626 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -75.839
Base-Backbone interact. energy: -0.002
local terms energy: -81.871124
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -22.236
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -185.230630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.230630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.230630 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -59.425
Base-Backbone interact. energy: 0.119
local terms energy: -72.018357
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -13.538
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: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -139.195465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.195465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.195465 (E_RNA)
where:
Base-Base interactions energy: -79.578
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.872
local terms energy: -58.745514
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.747
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: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -139.009156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.009156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.009156 (E_RNA)
where:
Base-Base interactions energy: -80.746
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.218
local terms energy: -58.045231
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -103.868020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868020 (E_RNA)
where:
Base-Base interactions energy: -41.428
where: short stacking energy: -41.289
Base-Backbone interact. energy: 0.346
local terms energy: -62.785735
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -99.149515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149515 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.654
local terms energy: -60.320873
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -91.369034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.369034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.369034 (E_RNA)
where:
Base-Base interactions energy: -50.221
where: short stacking energy: -34.351
Base-Backbone interact. energy: -0.272
local terms energy: -40.876397
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -6.085
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.306699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.306699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.306699 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.013
local terms energy: -54.206902
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -84.412784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412784 (E_RNA)
where:
Base-Base interactions energy: -35.799
where: short stacking energy: -34.232
Base-Backbone interact. energy: -0.071
local terms energy: -48.542251
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -8.595
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -10.068
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: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -73.862652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.862652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.862652 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -17.206
Base-Backbone interact. energy: -0.545
local terms energy: -44.267738
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -201.465576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.465576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.465576 (E_RNA)
where:
Base-Base interactions energy: -125.608
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.011
local terms energy: -75.846928
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -183.457198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.457198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.457198 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.077
local terms energy: -70.128971
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -141.000318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.000318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.000318 (E_RNA)
where:
Base-Base interactions energy: -71.718
where: short stacking energy: -44.007
Base-Backbone interact. energy: 0.057
local terms energy: -69.339205
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.620
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: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -146.003844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.003844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.003844 (E_RNA)
where:
Base-Base interactions energy: -84.386
where: short stacking energy: -41.417
Base-Backbone interact. energy: -1.495
local terms energy: -60.122309
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -8.249
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: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -111.689805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.689805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.689805 (E_RNA)
where:
Base-Base interactions energy: -44.817
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.114
local terms energy: -66.758813
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -9.729
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: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -97.835731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.835731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.835731 (E_RNA)
where:
Base-Base interactions energy: -46.769
where: short stacking energy: -21.010
Base-Backbone interact. energy: -0.132
local terms energy: -50.934403
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -86.316466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.316466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.316466 (E_RNA)
where:
Base-Base interactions energy: -27.899
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.107
local terms energy: -58.309924
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -89.504429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504429 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -16.792
Base-Backbone interact. energy: -0.368
local terms energy: -49.147233
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -0.808
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: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -86.964749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964749 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.179
local terms energy: -49.131333
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -73.589095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.589095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.589095 (E_RNA)
where:
Base-Base interactions energy: -25.142
where: short stacking energy: -19.941
Base-Backbone interact. energy: -2.371
local terms energy: -46.075751
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: 1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -208.013285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.013285 (E_RNA)
where:
Base-Base interactions energy: -124.474
where: short stacking energy: -73.166
Base-Backbone interact. energy: -0.125
local terms energy: -83.414660
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -194.445029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.445029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.445029 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -53.147
Base-Backbone interact. energy: 0.759
local terms energy: -67.549040
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -11.850
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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -148.856568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.856568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.856568 (E_RNA)
where:
Base-Base interactions energy: -79.229
where: short stacking energy: -52.629
Base-Backbone interact. energy: -0.007
local terms energy: -69.621117
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -117.333982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.333982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.333982 (E_RNA)
where:
Base-Base interactions energy: -49.027
where: short stacking energy: -39.107
Base-Backbone interact. energy: -0.164
local terms energy: -68.143530
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -105.345998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.345998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.345998 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.249
local terms energy: -54.962580
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -101.014883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.014883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.014883 (E_RNA)
where:
Base-Base interactions energy: -45.531
where: short stacking energy: -44.784
Base-Backbone interact. energy: -0.103
local terms energy: -55.380793
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -11.803
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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -91.108172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.108172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.108172 (E_RNA)
where:
Base-Base interactions energy: -46.532
where: short stacking energy: -27.370
Base-Backbone interact. energy: 0.337
local terms energy: -44.913226
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -91.137055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.137055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.137055 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -32.129
Base-Backbone interact. energy: 0.997
local terms energy: -60.004939
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -14.022
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -80.813092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.813092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.813092 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -33.306
Base-Backbone interact. energy: 0.731
local terms energy: -47.278322
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -83.406722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.406722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.406722 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.285
local terms energy: -53.996937
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -193.278490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.278490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.278490 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -68.705
Base-Backbone interact. energy: -0.004
local terms energy: -72.996199
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -188.342462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.342462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.342462 (E_RNA)
where:
Base-Base interactions energy: -117.140
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.020
local terms energy: -71.182140
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -141.465444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.465444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.465444 (E_RNA)
where:
Base-Base interactions energy: -76.157
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.220
local terms energy: -65.088085
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -134.641381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.641381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.641381 (E_RNA)
where:
Base-Base interactions energy: -74.840
where: short stacking energy: -43.577
Base-Backbone interact. energy: -0.009
local terms energy: -59.792068
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -120.700740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.700740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.700740 (E_RNA)
where:
Base-Base interactions energy: -54.679
where: short stacking energy: -54.679
Base-Backbone interact. energy: -0.058
local terms energy: -65.963473
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -92.256909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.256909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.256909 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -31.245
Base-Backbone interact. energy: -1.050
local terms energy: -59.962099
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -94.990046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.990046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.990046 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.170
local terms energy: -57.817934
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -5.218
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: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -81.197739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197739 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -24.089
Base-Backbone interact. energy: -0.232
local terms energy: -43.112739
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -97.619077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619077 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -23.778
Base-Backbone interact. energy: 0.847
local terms energy: -56.784759
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.643968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643968 (E_RNA)
where:
Base-Base interactions energy: -32.636
where: short stacking energy: -26.949
Base-Backbone interact. energy: -0.202
local terms energy: -48.805411
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -7.924
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -205.761108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.761108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.761108 (E_RNA)
where:
Base-Base interactions energy: -127.609
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.111
local terms energy: -78.040831
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -22.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -185.952847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.952847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.952847 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.200
local terms energy: -69.138153
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -127.899724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.899724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.899724 (E_RNA)
where:
Base-Base interactions energy: -62.821
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.160
local terms energy: -64.918222
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -11.174
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -114.088609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.088609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.088609 (E_RNA)
where:
Base-Base interactions energy: -46.251
where: short stacking energy: -47.751
Base-Backbone interact. energy: -0.045
local terms energy: -67.792174
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -127.427476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.427476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.427476 (E_RNA)
where:
Base-Base interactions energy: -63.846
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.825
local terms energy: -62.756176
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -102.451607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.451607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.451607 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.126
local terms energy: -59.271960
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -95.759363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.759363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.759363 (E_RNA)
where:
Base-Base interactions energy: -48.654
where: short stacking energy: -35.335
Base-Backbone interact. energy: -0.525
local terms energy: -46.581015
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -100.848737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.848737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.848737 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -29.933
Base-Backbone interact. energy: 0.276
local terms energy: -56.965734
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -101.177792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.177792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.177792 (E_RNA)
where:
Base-Base interactions energy: -51.637
where: short stacking energy: -24.473
Base-Backbone interact. energy: 0.288
local terms energy: -49.829309
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -9.114
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -75.148051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.148051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.148051 (E_RNA)
where:
Base-Base interactions energy: -27.799
where: short stacking energy: -24.980
Base-Backbone interact. energy: 3.740
local terms energy: -51.088581
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -193.989239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989239 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -73.100
Base-Backbone interact. energy: 2.564
local terms energy: -77.189908
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -177.239844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.239844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.239844 (E_RNA)
where:
Base-Base interactions energy: -107.431
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.295
local terms energy: -69.514225
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -112.528438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.528438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.528438 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.001
local terms energy: -72.259839
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -108.784353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.784353 (E_RNA)
where:
Base-Base interactions energy: -50.121
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.132
local terms energy: -58.531085
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -101.516044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.516044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.516044 (E_RNA)
where:
Base-Base interactions energy: -47.250
where: short stacking energy: -37.772
Base-Backbone interact. energy: -0.041
local terms energy: -54.225384
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -104.201794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.201794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.201794 (E_RNA)
where:
Base-Base interactions energy: -50.902
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.106
local terms energy: -53.194150
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -85.618059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618059 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -25.706
Base-Backbone interact. energy: 1.643
local terms energy: -57.560613
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -84.520025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520025 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.138
local terms energy: -49.374007
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -6.784
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: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -76.771398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771398 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.115
local terms energy: -42.331139
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -75.169880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.169880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.169880 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -21.908
Base-Backbone interact. energy: 0.171
local terms energy: -44.744842
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -196.170859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.170859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.170859 (E_RNA)
where:
Base-Base interactions energy: -115.835
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.003
local terms energy: -80.333102
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -182.223286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.223286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.223286 (E_RNA)
where:
Base-Base interactions energy: -111.947
where: short stacking energy: -60.959
Base-Backbone interact. energy: -0.299
local terms energy: -69.976912
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -130.321563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.321563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.321563 (E_RNA)
where:
Base-Base interactions energy: -69.881
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.120
local terms energy: -60.321351
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -10.497
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: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -102.958731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.958731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.958731 (E_RNA)
where:
Base-Base interactions energy: -47.849
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.199
local terms energy: -54.911119
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -136.272444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.272444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.272444 (E_RNA)
where:
Base-Base interactions energy: -71.339
where: short stacking energy: -47.616
Base-Backbone interact. energy: 0.020
local terms energy: -64.953357
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -96.826121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826121 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.023
local terms energy: -62.166936
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -82.706377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706377 (E_RNA)
where:
Base-Base interactions energy: -36.746
where: short stacking energy: -24.907
Base-Backbone interact. energy: -0.136
local terms energy: -45.824579
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: 1.231
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: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -78.607009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.607009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.607009 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.397
local terms energy: -39.721552
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -4.274
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -80.474745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.474745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.474745 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -25.283
Base-Backbone interact. energy: -0.077
local terms energy: -49.559877
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -71.270684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.270684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.270684 (E_RNA)
where:
Base-Base interactions energy: -26.070
where: short stacking energy: -22.295
Base-Backbone interact. energy: -0.142
local terms energy: -45.058472
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -8.320
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: 3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -190.150921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.150921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.150921 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.260
local terms energy: -71.756693
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.566
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: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -189.290827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290827 (E_RNA)
where:
Base-Base interactions energy: -114.486
where: short stacking energy: -62.259
Base-Backbone interact. energy: 0.381
local terms energy: -75.185899
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -11.840
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: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -109.494442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.494442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.494442 (E_RNA)
where:
Base-Base interactions energy: -42.738
where: short stacking energy: -42.738
Base-Backbone interact. energy: -0.090
local terms energy: -66.665967
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -10.732
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: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -112.037989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.037989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.037989 (E_RNA)
where:
Base-Base interactions energy: -51.672
where: short stacking energy: -45.628
Base-Backbone interact. energy: 0.233
local terms energy: -60.598449
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -145.865981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.865981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.865981 (E_RNA)
where:
Base-Base interactions energy: -79.100
where: short stacking energy: -46.473
Base-Backbone interact. energy: -0.083
local terms energy: -66.682545
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -10.707
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -91.614105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.614105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.614105 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.008
local terms energy: -61.475855
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.116288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116288 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.043
local terms energy: -58.501062
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -96.227719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227719 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.016
local terms energy: -56.595023
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.223
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: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -83.308659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308659 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.046
local terms energy: -50.620694
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -88.598430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598430 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -31.256
Base-Backbone interact. energy: 0.622
local terms energy: -53.878668
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -183.008094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.008094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.008094 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.102
local terms energy: -67.349640
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -16.000
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -195.041210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.041210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041210 (E_RNA)
where:
Base-Base interactions energy: -112.538
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.025
local terms energy: -82.478735
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -114.066858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.066858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.066858 (E_RNA)
where:
Base-Base interactions energy: -45.650
where: short stacking energy: -45.650
Base-Backbone interact. energy: -0.092
local terms energy: -68.323920
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -13.609
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: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -150.629776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.629776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.629776 (E_RNA)
where:
Base-Base interactions energy: -86.768
where: short stacking energy: -59.895
Base-Backbone interact. energy: 0.524
local terms energy: -64.385986
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -110.473342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.473342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.473342 (E_RNA)
where:
Base-Base interactions energy: -55.215
where: short stacking energy: -49.177
Base-Backbone interact. energy: 1.072
local terms energy: -56.330394
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -10.649
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -91.993658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.993658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.993658 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -28.792
Base-Backbone interact. energy: 0.539
local terms energy: -50.507071
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -88.080068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080068 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -27.820
Base-Backbone interact. energy: -1.233
local terms energy: -55.472075
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -86.550178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.550178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.550178 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -27.487
Base-Backbone interact. energy: -1.157
local terms energy: -52.558443
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -5.887
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: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -77.894106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.894106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.894106 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.467
local terms energy: -43.432068
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -76.670724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.670724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.670724 (E_RNA)
where:
Base-Base interactions energy: -28.033
where: short stacking energy: -27.395
Base-Backbone interact. energy: -0.203
local terms energy: -48.435056
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -207.147054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.147054 (E_RNA)
where:
Base-Base interactions energy: -123.344
where: short stacking energy: -67.778
Base-Backbone interact. energy: -0.087
local terms energy: -83.716390
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -172.703405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.703405 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.309
local terms energy: -61.908183
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -147.097888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.097888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.097888 (E_RNA)
where:
Base-Base interactions energy: -83.105
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.148
local terms energy: -63.845162
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -14.605
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: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -130.345799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.345799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.345799 (E_RNA)
where:
Base-Base interactions energy: -59.330
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.001
local terms energy: -71.014387
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.592
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: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -108.392444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.392444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.392444 (E_RNA)
where:
Base-Base interactions energy: -43.451
where: short stacking energy: -43.451
Base-Backbone interact. energy: -0.379
local terms energy: -64.562363
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -13.734
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -94.299824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299824 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -35.370
Base-Backbone interact. energy: -0.273
local terms energy: -56.743196
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -100.272399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.272399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.272399 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.053
local terms energy: -56.913048
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -3.760
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: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -76.457261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.457261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.457261 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -24.878
Base-Backbone interact. energy: 0.667
local terms energy: -48.526614
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -88.506222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.506222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.506222 (E_RNA)
where:
Base-Base interactions energy: -34.429
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.038
local terms energy: -54.038872
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -2.656
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -79.583229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.583229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.583229 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.152
local terms energy: -49.413106
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -7.580
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: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -198.644971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.644971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.644971 (E_RNA)
where:
Base-Base interactions energy: -125.668
where: short stacking energy: -69.103
Base-Backbone interact. energy: -0.027
local terms energy: -72.950765
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -17.944
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -183.597629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.597629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.597629 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.135
local terms energy: -66.876603
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -16.329
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: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -144.463363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.463363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.463363 (E_RNA)
where:
Base-Base interactions energy: -74.395
where: short stacking energy: -49.092
Base-Backbone interact. energy: -0.097
local terms energy: -69.971081
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -13.281
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: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -119.681703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.681703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.681703 (E_RNA)
where:
Base-Base interactions energy: -53.857
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.000
local terms energy: -65.824833
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -98.694592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.694592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.694592 (E_RNA)
where:
Base-Base interactions energy: -40.845
where: short stacking energy: -40.845
Base-Backbone interact. energy: -0.524
local terms energy: -57.325949
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -94.669061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.669061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.669061 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -29.516
Base-Backbone interact. energy: -1.120
local terms energy: -61.349966
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -96.990858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.990858 (E_RNA)
where:
Base-Base interactions energy: -42.958
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.457
local terms energy: -53.575950
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -86.448530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.448530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.448530 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.007
local terms energy: -56.542046
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -83.488874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488874 (E_RNA)
where:
Base-Base interactions energy: -32.768
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.007
local terms energy: -50.713746
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -72.603517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.603517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.603517 (E_RNA)
where:
Base-Base interactions energy: -22.022
where: short stacking energy: -20.204
Base-Backbone interact. energy: -0.143
local terms energy: -50.438641
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -6.109
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -201.157952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157952 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -74.012
Base-Backbone interact. energy: -0.028
local terms energy: -75.599206
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -181.824533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.824533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.824533 (E_RNA)
where:
Base-Base interactions energy: -120.212
where: short stacking energy: -53.336
Base-Backbone interact. energy: 1.043
local terms energy: -62.655721
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -119.290801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.290801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.290801 (E_RNA)
where:
Base-Base interactions energy: -51.119
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.123
local terms energy: -68.048702
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -103.264062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.264062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.264062 (E_RNA)
where:
Base-Base interactions energy: -45.046
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.066
local terms energy: -58.151351
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -105.698449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.698449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.698449 (E_RNA)
where:
Base-Base interactions energy: -45.441
where: short stacking energy: -41.601
Base-Backbone interact. energy: -0.479
local terms energy: -59.778530
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -93.362515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362515 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.081
local terms energy: -51.227185
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -5.745
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: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -120.841309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.841309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.841309 (E_RNA)
where:
Base-Base interactions energy: -54.312
where: short stacking energy: -44.351
Base-Backbone interact. energy: -0.106
local terms energy: -66.423651
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -13.632
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -84.521005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521005 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -21.979
Base-Backbone interact. energy: -0.156
local terms energy: -52.905459
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -85.227740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227740 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -24.392
Base-Backbone interact. energy: -0.448
local terms energy: -52.377725
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -77.840266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.840266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.840266 (E_RNA)
where:
Base-Base interactions energy: -31.688
where: short stacking energy: -30.892
Base-Backbone interact. energy: -0.225
local terms energy: -45.927982
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -10.263
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: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -201.899391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.899391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.899391 (E_RNA)
where:
Base-Base interactions energy: -128.122
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.510
local terms energy: -73.267867
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -150.171418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.171418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.171418 (E_RNA)
where:
Base-Base interactions energy: -85.512
where: short stacking energy: -42.871
Base-Backbone interact. energy: -0.226
local terms energy: -64.433997
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -133.901358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.901358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.901358 (E_RNA)
where:
Base-Base interactions energy: -64.956
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.011
local terms energy: -68.934515
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.172
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: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -111.971050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.971050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.971050 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -42.020
Base-Backbone interact. energy: -0.028
local terms energy: -69.922967
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -117.855912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.855912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.855912 (E_RNA)
where:
Base-Base interactions energy: -52.299
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.004
local terms energy: -65.552714
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.763
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -113.098987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.098987 (E_RNA)
where:
Base-Base interactions energy: -55.891
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.630
local terms energy: -56.578099
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -99.982035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982035 (E_RNA)
where:
Base-Base interactions energy: -50.096
where: short stacking energy: -43.404
Base-Backbone interact. energy: -0.174
local terms energy: -49.711689
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.530
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: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -79.112950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112950 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -28.473
Base-Backbone interact. energy: -0.077
local terms energy: -46.259665
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -75.927513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.927513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.927513 (E_RNA)
where:
Base-Base interactions energy: -29.290
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.579
local terms energy: -46.058915
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -6.240
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -11.360
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: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -76.061275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.061275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.061275 (E_RNA)
where:
Base-Base interactions energy: -29.687
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.259
local terms energy: -46.115239
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -204.329238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.329238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.329238 (E_RNA)
where:
Base-Base interactions energy: -124.700
where: short stacking energy: -68.935
Base-Backbone interact. energy: -0.007
local terms energy: -79.621968
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -162.475505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.475505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.475505 (E_RNA)
where:
Base-Base interactions energy: -100.216
where: short stacking energy: -55.877
Base-Backbone interact. energy: -0.379
local terms energy: -61.880195
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -1.244
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -135.333021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.333021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.333021 (E_RNA)
where:
Base-Base interactions energy: -66.668
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.669
local terms energy: -67.995602
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -117.999005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.999005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.999005 (E_RNA)
where:
Base-Base interactions energy: -54.503
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.002
local terms energy: -63.494573
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -6.785
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -116.445537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.445537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.445537 (E_RNA)
where:
Base-Base interactions energy: -58.557
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.006
local terms energy: -57.882103
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -95.099935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.099935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.099935 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.120
local terms energy: -53.060195
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -89.133059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.133059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.133059 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -30.064
Base-Backbone interact. energy: 3.810
local terms energy: -49.951167
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -90.034796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.034796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.034796 (E_RNA)
where:
Base-Base interactions energy: -43.948
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.084
local terms energy: -46.002413
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -9.614
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: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -86.391179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.391179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.391179 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -26.764
Base-Backbone interact. energy: -0.241
local terms energy: -50.081054
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -5.134
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: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -81.066220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066220 (E_RNA)
where:
Base-Base interactions energy: -30.016
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.105
local terms energy: -50.945676
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -203.120449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.120449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.120449 (E_RNA)
where:
Base-Base interactions energy: -122.866
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.602
local terms energy: -79.652251
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -154.771063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.771063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.771063 (E_RNA)
where:
Base-Base interactions energy: -89.925
where: short stacking energy: -47.035
Base-Backbone interact. energy: -0.961
local terms energy: -63.884167
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -9.660
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -129.734955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.734955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.734955 (E_RNA)
where:
Base-Base interactions energy: -63.742
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.054
local terms energy: -65.938972
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.245
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: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -115.822820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.822820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.822820 (E_RNA)
where:
Base-Base interactions energy: -57.822
where: short stacking energy: -43.176
Base-Backbone interact. energy: 0.071
local terms energy: -58.072567
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -106.542157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.542157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.542157 (E_RNA)
where:
Base-Base interactions energy: -48.892
where: short stacking energy: -47.439
Base-Backbone interact. energy: -1.018
local terms energy: -56.631714
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -99.082389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082389 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.967
local terms energy: -59.436525
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -102.288942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.288942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.288942 (E_RNA)
where:
Base-Base interactions energy: -49.411
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.241
local terms energy: -52.636609
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -7.289
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: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -81.710144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.710144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.710144 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -22.745
Base-Backbone interact. energy: -0.104
local terms energy: -49.332353
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -88.436111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436111 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -15.520
Base-Backbone interact. energy: -0.775
local terms energy: -62.498981
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.449
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: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -84.861858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861858 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -36.658
Base-Backbone interact. energy: 0.071
local terms energy: -46.797076
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -194.363922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.363922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.363922 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -67.376
Base-Backbone interact. energy: 0.325
local terms energy: -81.364138
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -19.452
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: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -157.554564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.554564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.554564 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -55.703
Base-Backbone interact. energy: 0.369
local terms energy: -65.707525
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -145.271893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.271893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.271893 (E_RNA)
where:
Base-Base interactions energy: -82.061
where: short stacking energy: -52.215
Base-Backbone interact. energy: -0.042
local terms energy: -63.168893
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -134.224642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.224642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.224642 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.008
local terms energy: -63.543379
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -111.801055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.801055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.801055 (E_RNA)
where:
Base-Base interactions energy: -55.064
where: short stacking energy: -28.863
Base-Backbone interact. energy: -1.055
local terms energy: -55.682956
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -8.304
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -92.392547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.392547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.392547 (E_RNA)
where:
Base-Base interactions energy: -36.963
where: short stacking energy: -31.783
Base-Backbone interact. energy: -0.511
local terms energy: -54.918222
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -108.047850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.047850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.047850 (E_RNA)
where:
Base-Base interactions energy: -51.199
where: short stacking energy: -39.638
Base-Backbone interact. energy: -0.040
local terms energy: -56.809661
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -91.751424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751424 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.269
local terms energy: -59.921789
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -74.240867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.240867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.240867 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.244
local terms energy: -45.252108
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -93.669962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.669962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.669962 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.116
local terms energy: -60.019108
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -189.881674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.881674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.881674 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -62.819
Base-Backbone interact. energy: 0.575
local terms energy: -76.110959
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -152.065680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.065680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.065680 (E_RNA)
where:
Base-Base interactions energy: -87.988
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.849
local terms energy: -63.228823
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.045
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: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -130.870997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.870997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.870997 (E_RNA)
where:
Base-Base interactions energy: -73.200
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.100
local terms energy: -57.570708
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -9.264
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: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -121.684207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.684207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.684207 (E_RNA)
where:
Base-Base interactions energy: -66.318
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.437
local terms energy: -54.929172
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -110.211908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.211908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.211908 (E_RNA)
where:
Base-Base interactions energy: -44.049
where: short stacking energy: -44.049
Base-Backbone interact. energy: -0.028
local terms energy: -66.133979
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.134
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: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -112.246548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.246548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.246548 (E_RNA)
where:
Base-Base interactions energy: -53.589
where: short stacking energy: -53.589
Base-Backbone interact. energy: -0.087
local terms energy: -58.570583
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -5.517
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -13.013
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: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -91.886857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886857 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.128
local terms energy: -56.663306
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -0.655
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: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -86.403915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403915 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.029
local terms energy: -48.355064
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.878
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: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -73.449119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.449119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.449119 (E_RNA)
where:
Base-Base interactions energy: -29.680
where: short stacking energy: -19.592
Base-Backbone interact. energy: -0.376
local terms energy: -43.393196
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -69.376789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.376789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.376789 (E_RNA)
where:
Base-Base interactions energy: -17.993
where: short stacking energy: -16.513
Base-Backbone interact. energy: -0.143
local terms energy: -51.240821
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -189.209370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.209370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.209370 (E_RNA)
where:
Base-Base interactions energy: -116.057
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.609
local terms energy: -72.543163
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.382
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: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -163.301924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.301924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.301924 (E_RNA)
where:
Base-Base interactions energy: -109.160
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.112
local terms energy: -54.029958
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -7.956
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: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -123.637922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.637922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.637922 (E_RNA)
where:
Base-Base interactions energy: -53.409
where: short stacking energy: -51.552
Base-Backbone interact. energy: -0.012
local terms energy: -70.217390
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -12.793
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: 144
Temperature: 1.050000
Total energy: -99.933822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.933822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.933822 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.247
local terms energy: -52.393607
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -113.932561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.932561 (E_RNA)
where:
Base-Base interactions energy: -50.494
where: short stacking energy: -40.568
Base-Backbone interact. energy: 1.708
local terms energy: -65.145950
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -105.784349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.784349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.784349 (E_RNA)
where:
Base-Base interactions energy: -48.098
where: short stacking energy: -34.109
Base-Backbone interact. energy: -1.599
local terms energy: -56.087436
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -89.269973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.269973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.269973 (E_RNA)
where:
Base-Base interactions energy: -30.721
where: short stacking energy: -26.173
Base-Backbone interact. energy: -0.056
local terms energy: -58.493681
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: 0.204
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: 144
Temperature: 1.250000
Total energy: -79.947808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.947808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.947808 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -18.622
Base-Backbone interact. energy: 0.265
local terms energy: -46.942961
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -0.768
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: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -79.881177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.881177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.881177 (E_RNA)
where:
Base-Base interactions energy: -28.013
where: short stacking energy: -28.013
Base-Backbone interact. energy: 0.138
local terms energy: -52.006372
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -80.823408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.823408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.823408 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -31.430
Base-Backbone interact. energy: -0.078
local terms energy: -46.623567
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -5.826
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -196.840874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.840874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.840874 (E_RNA)
where:
Base-Base interactions energy: -117.372
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.001
local terms energy: -79.467699
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -13.423
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: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -183.585640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.585640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585640 (E_RNA)
where:
Base-Base interactions energy: -101.772
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.061
local terms energy: -81.753185
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -121.516405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.516405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.516405 (E_RNA)
where:
Base-Base interactions energy: -54.283
where: short stacking energy: -53.576
Base-Backbone interact. energy: -0.001
local terms energy: -67.232441
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.411
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -115.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.228884 (E_RNA)
where:
Base-Base interactions energy: -63.678
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.553
local terms energy: -50.998022
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -7.969
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: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -89.178351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178351 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.112
local terms energy: -54.966393
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -99.193227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.193227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.193227 (E_RNA)
where:
Base-Base interactions energy: -40.742
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.129
local terms energy: -58.322298
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -85.586065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.586065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.586065 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.202
local terms energy: -55.043882
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -95.092766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.092766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.092766 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -36.784
Base-Backbone interact. energy: -0.002
local terms energy: -56.792465
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.656240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656240 (E_RNA)
where:
Base-Base interactions energy: -28.137
where: short stacking energy: -23.579
Base-Backbone interact. energy: -0.191
local terms energy: -52.328025
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -76.712454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712454 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -21.958
Base-Backbone interact. energy: 0.301
local terms energy: -51.666767
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -201.573183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573183 (E_RNA)
where:
Base-Base interactions energy: -123.716
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.049
local terms energy: -77.808369
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -19.964
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: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -177.186519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.186519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.186519 (E_RNA)
where:
Base-Base interactions energy: -97.446
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.098
local terms energy: -79.642197
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -10.283
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: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -125.519023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.519023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.519023 (E_RNA)
where:
Base-Base interactions energy: -63.672
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.430
local terms energy: -61.417201
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -106.856048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.856048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.856048 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.035
local terms energy: -59.859760
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -8.206
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -101.525382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.525382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.525382 (E_RNA)
where:
Base-Base interactions energy: -51.488
where: short stacking energy: -41.349
Base-Backbone interact. energy: 0.654
local terms energy: -50.691942
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -7.207
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: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -89.004131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.004131 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.440
local terms energy: -51.952978
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -8.441
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: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -101.743490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.743490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.743490 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -36.678
Base-Backbone interact. energy: 0.248
local terms energy: -54.663528
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -7.511
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -90.859886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859886 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -36.889
Base-Backbone interact. energy: -0.151
local terms energy: -53.819513
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -76.204988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.204988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.204988 (E_RNA)
where:
Base-Base interactions energy: -26.096
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.208
local terms energy: -49.900787
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -75.164660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.164660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.164660 (E_RNA)
where:
Base-Base interactions energy: -23.372
where: short stacking energy: -23.372
Base-Backbone interact. energy: -0.061
local terms energy: -51.731637
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -9.720
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: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -213.184888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184888 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.014
local terms energy: -86.581236
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -172.593067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.593067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.593067 (E_RNA)
where:
Base-Base interactions energy: -102.338
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.049
local terms energy: -70.205861
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -122.083548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.083548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.083548 (E_RNA)
where:
Base-Base interactions energy: -57.989
where: short stacking energy: -33.020
Base-Backbone interact. energy: -0.205
local terms energy: -63.889719
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -6.748
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -121.536496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.536496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.536496 (E_RNA)
where:
Base-Base interactions energy: -58.043
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.256
local terms energy: -63.237460
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.673
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: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -131.658964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.658964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.658964 (E_RNA)
where:
Base-Base interactions energy: -79.903
where: short stacking energy: -48.085
Base-Backbone interact. energy: 1.107
local terms energy: -52.862909
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -90.728792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.728792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.728792 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -25.680
Base-Backbone interact. energy: -0.108
local terms energy: -49.439292
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -85.162255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162255 (E_RNA)
where:
Base-Base interactions energy: -25.903
where: short stacking energy: -25.903
Base-Backbone interact. energy: 0.026
local terms energy: -59.284933
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -94.106456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106456 (E_RNA)
where:
Base-Base interactions energy: -41.534
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.110
local terms energy: -52.462497
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.738
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -77.527223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527223 (E_RNA)
where:
Base-Base interactions energy: -29.355
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.268
local terms energy: -47.904214
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -71.692781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.692781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.692781 (E_RNA)
where:
Base-Base interactions energy: -18.227
where: short stacking energy: -17.776
Base-Backbone interact. energy: -0.082
local terms energy: -53.383610
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -199.625225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.625225 (E_RNA)
where:
Base-Base interactions energy: -118.432
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.003
local terms energy: -81.190504
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -23.184
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: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -178.461721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.461721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.461721 (E_RNA)
where:
Base-Base interactions energy: -103.233
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.011
local terms energy: -75.217386
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -16.312
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: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -120.363701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.363701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.363701 (E_RNA)
where:
Base-Base interactions energy: -50.379
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.006
local terms energy: -69.979458
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -137.746119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.746119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.746119 (E_RNA)
where:
Base-Base interactions energy: -72.940
where: short stacking energy: -50.870
Base-Backbone interact. energy: -0.312
local terms energy: -64.493968
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.619
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: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -114.444147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.444147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.444147 (E_RNA)
where:
Base-Base interactions energy: -57.426
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.109
local terms energy: -56.909209
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -109.507062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.507062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.507062 (E_RNA)
where:
Base-Base interactions energy: -54.305
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.124
local terms energy: -55.078182
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -99.270159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.270159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.270159 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.130
local terms energy: -55.830661
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -80.571615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571615 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -25.067
Base-Backbone interact. energy: -0.060
local terms energy: -50.873730
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -10.531
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -79.691111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.691111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.691111 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -21.516
Base-Backbone interact. energy: 0.452
local terms energy: -49.623356
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.550456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.550456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.550456 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -26.271
Base-Backbone interact. energy: -0.074
local terms energy: -45.242759
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -8.916
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: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -195.014447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.014447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.014447 (E_RNA)
where:
Base-Base interactions energy: -117.102
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.065
local terms energy: -77.847460
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -170.515429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.515429 (E_RNA)
where:
Base-Base interactions energy: -94.588
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.208
local terms energy: -75.719552
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -143.195878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.195878 (E_RNA)
where:
Base-Base interactions energy: -77.571
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.394
local terms energy: -65.231258
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -108.593470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.593470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.593470 (E_RNA)
where:
Base-Base interactions energy: -48.076
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.086
local terms energy: -60.432114
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -106.235673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.235673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.235673 (E_RNA)
where:
Base-Base interactions energy: -52.158
where: short stacking energy: -22.674
Base-Backbone interact. energy: -0.757
local terms energy: -53.321001
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.615
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: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -100.160812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160812 (E_RNA)
where:
Base-Base interactions energy: -48.377
where: short stacking energy: -33.538
Base-Backbone interact. energy: -0.094
local terms energy: -51.690333
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -90.806292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806292 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.102
local terms energy: -55.918116
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -85.190003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190003 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.097
local terms energy: -52.957077
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -5.094
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: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -82.002644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.002644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.002644 (E_RNA)
where:
Base-Base interactions energy: -33.573
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.428
local terms energy: -48.001944
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -5.848
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: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -72.219193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.219193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.219193 (E_RNA)
where:
Base-Base interactions energy: -24.165
where: short stacking energy: -20.248
Base-Backbone interact. energy: -0.132
local terms energy: -47.922324
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -200.800188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.800188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.800188 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.010
local terms energy: -80.234346
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -171.000267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.000267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.000267 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.014
local terms energy: -75.659497
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -143.111678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.111678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.111678 (E_RNA)
where:
Base-Base interactions energy: -80.998
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.801
local terms energy: -61.313334
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -122.789582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.789582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.789582 (E_RNA)
where:
Base-Base interactions energy: -60.885
where: short stacking energy: -40.132
Base-Backbone interact. energy: -0.068
local terms energy: -61.837010
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -111.412066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.412066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.412066 (E_RNA)
where:
Base-Base interactions energy: -54.892
where: short stacking energy: -43.549
Base-Backbone interact. energy: 1.327
local terms energy: -57.847904
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -103.270764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.270764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.270764 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -31.578
Base-Backbone interact. energy: 0.197
local terms energy: -55.275638
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.693
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: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -85.745310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745310 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -17.475
Base-Backbone interact. energy: -0.269
local terms energy: -53.470520
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.731
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -93.032928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032928 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -37.440
Base-Backbone interact. energy: -0.074
local terms energy: -55.518938
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -10.307
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: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -102.701849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.701849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.701849 (E_RNA)
where:
Base-Base interactions energy: -47.100
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.081
local terms energy: -55.521043
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -5.654
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: 150
Temperature: 1.350000
Total energy: -74.586826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.586826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.586826 (E_RNA)
where:
Base-Base interactions energy: -27.735
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.399
local terms energy: -46.452301
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -201.000405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.000405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.000405 (E_RNA)
where:
Base-Base interactions energy: -119.182
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.571
local terms energy: -81.246683
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -187.602680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.602680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.602680 (E_RNA)
where:
Base-Base interactions energy: -109.100
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.010
local terms energy: -78.493602
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.296
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: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -110.680079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680079 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.180
local terms energy: -64.643836
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -153.945564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.945564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.945564 (E_RNA)
where:
Base-Base interactions energy: -88.075
where: short stacking energy: -45.649
Base-Backbone interact. energy: 0.117
local terms energy: -65.987440
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -114.306629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.306629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.306629 (E_RNA)
where:
Base-Base interactions energy: -59.759
where: short stacking energy: -45.328
Base-Backbone interact. energy: 0.249
local terms energy: -54.796846
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -103.959662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.959662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.959662 (E_RNA)
where:
Base-Base interactions energy: -49.271
where: short stacking energy: -33.937
Base-Backbone interact. energy: 1.564
local terms energy: -56.253288
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -83.860510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.860510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.860510 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.719
local terms energy: -56.101657
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -87.214263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.214263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.214263 (E_RNA)
where:
Base-Base interactions energy: -39.643
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.678
local terms energy: -46.892752
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -3.750
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: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -80.185697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.185697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.185697 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.096
local terms energy: -48.841733
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -78.182347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182347 (E_RNA)
where:
Base-Base interactions energy: -29.463
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.285
local terms energy: -48.434519
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -172.363018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.363018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.363018 (E_RNA)
where:
Base-Base interactions energy: -102.110
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.017
local terms energy: -70.236145
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -15.794
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: 152
Temperature: 0.950000
Total energy: -200.907363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.907363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.907363 (E_RNA)
where:
Base-Base interactions energy: -122.649
where: short stacking energy: -74.693
Base-Backbone interact. energy: -0.001
local terms energy: -78.256946
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -134.987546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.987546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.987546 (E_RNA)
where:
Base-Base interactions energy: -63.653
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.005
local terms energy: -71.329666
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.797
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: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -112.833109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.833109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.833109 (E_RNA)
where:
Base-Base interactions energy: -52.410
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.245
local terms energy: -60.178577
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -112.126776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.126776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.126776 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -38.592
Base-Backbone interact. energy: -0.837
local terms energy: -63.013932
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -12.414
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: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -90.935464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935464 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.946
local terms energy: -60.610018
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -92.835216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835216 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.149
local terms energy: -51.724763
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -77.921061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921061 (E_RNA)
where:
Base-Base interactions energy: -33.111
where: short stacking energy: -26.819
Base-Backbone interact. energy: 0.933
local terms energy: -45.742942
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -1.849
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: 152
Temperature: 1.300000
Total energy: -77.152845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.152845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.152845 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -23.260
Base-Backbone interact. energy: 1.705
local terms energy: -44.875966
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -73.774625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.774625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.774625 (E_RNA)
where:
Base-Base interactions energy: -20.304
where: short stacking energy: -19.893
Base-Backbone interact. energy: 1.103
local terms energy: -54.573669
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -175.470738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.470738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.470738 (E_RNA)
where:
Base-Base interactions energy: -102.718
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.105
local terms energy: -72.648097
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -190.306738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.306738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.306738 (E_RNA)
where:
Base-Base interactions energy: -115.901
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.003
local terms energy: -74.402932
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -17.713
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -133.682468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.682468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.682468 (E_RNA)
where:
Base-Base interactions energy: -66.993
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.068
local terms energy: -66.620771
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -117.274351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.274351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.274351 (E_RNA)
where:
Base-Base interactions energy: -53.890
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.035
local terms energy: -63.349711
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -95.308696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308696 (E_RNA)
where:
Base-Base interactions energy: -42.797
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.330
local terms energy: -52.181441
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -105.866469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866469 (E_RNA)
where:
Base-Base interactions energy: -49.437
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.109
local terms energy: -56.321137
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -92.725435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.725435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.725435 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.129
local terms energy: -49.231208
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.519
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: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -79.556459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.556459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.556459 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.412
local terms energy: -43.910589
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -3.285
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: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -74.579983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.579983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.579983 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -20.279
Base-Backbone interact. energy: -0.091
local terms energy: -39.644073
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -2.333
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: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -82.076817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.076817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.076817 (E_RNA)
where:
Base-Base interactions energy: -39.164
where: short stacking energy: -34.803
Base-Backbone interact. energy: 0.266
local terms energy: -43.179175
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -198.427612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427612 (E_RNA)
where:
Base-Base interactions energy: -117.366
where: short stacking energy: -70.665
Base-Backbone interact. energy: -0.471
local terms energy: -80.591011
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.387
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: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -175.462223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.462223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.462223 (E_RNA)
where:
Base-Base interactions energy: -103.230
where: short stacking energy: -62.953
Base-Backbone interact. energy: -0.277
local terms energy: -71.955869
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -10.977
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: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -132.989041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.989041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.989041 (E_RNA)
where:
Base-Base interactions energy: -64.761
where: short stacking energy: -47.880
Base-Backbone interact. energy: 0.571
local terms energy: -68.799560
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -13.472
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: 154
Temperature: 1.050000
Total energy: -115.532645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.532645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.532645 (E_RNA)
where:
Base-Base interactions energy: -55.177
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.018
local terms energy: -60.336973
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -105.658709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.658709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.658709 (E_RNA)
where:
Base-Base interactions energy: -54.465
where: short stacking energy: -41.955
Base-Backbone interact. energy: -0.477
local terms energy: -50.716233
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -85.045337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.045337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.045337 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.717
local terms energy: -53.071184
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -83.464910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.464910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.464910 (E_RNA)
where:
Base-Base interactions energy: -29.743
where: short stacking energy: -20.610
Base-Backbone interact. energy: -0.238
local terms energy: -53.483342
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -73.717113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.717113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.717113 (E_RNA)
where:
Base-Base interactions energy: -26.043
where: short stacking energy: -23.840
Base-Backbone interact. energy: 0.012
local terms energy: -47.685977
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: 0.432
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -83.663844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.663844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.663844 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.053
local terms energy: -50.551312
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -5.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -79.004388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.004388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.004388 (E_RNA)
where:
Base-Base interactions energy: -33.160
where: short stacking energy: -27.380
Base-Backbone interact. energy: -0.129
local terms energy: -45.715307
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -2.796
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: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -193.920214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920214 (E_RNA)
where:
Base-Base interactions energy: -119.412
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.003
local terms energy: -74.505707
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -157.940422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.940422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.940422 (E_RNA)
where:
Base-Base interactions energy: -94.697
where: short stacking energy: -44.709
Base-Backbone interact. energy: 0.453
local terms energy: -63.696363
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -130.667979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.667979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.667979 (E_RNA)
where:
Base-Base interactions energy: -74.778
where: short stacking energy: -36.910
Base-Backbone interact. energy: 0.787
local terms energy: -56.677012
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -127.112413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.112413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.112413 (E_RNA)
where:
Base-Base interactions energy: -55.928
where: short stacking energy: -48.518
Base-Backbone interact. energy: -0.173
local terms energy: -71.011443
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -120.435305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.435305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.435305 (E_RNA)
where:
Base-Base interactions energy: -62.412
where: short stacking energy: -45.820
Base-Backbone interact. energy: -0.107
local terms energy: -57.915661
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -5.512
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: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -103.710082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.710082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.710082 (E_RNA)
where:
Base-Base interactions energy: -47.216
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.534
local terms energy: -55.959922
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -117.514739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.514739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.514739 (E_RNA)
where:
Base-Base interactions energy: -63.168
where: short stacking energy: -49.271
Base-Backbone interact. energy: -0.307
local terms energy: -54.039939
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -85.039933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039933 (E_RNA)
where:
Base-Base interactions energy: -26.826
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.131
local terms energy: -58.083519
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -9.899
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: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -72.491700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.491700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.491700 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -23.001
Base-Backbone interact. energy: 0.634
local terms energy: -45.415488
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: 2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -86.798149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798149 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.160
local terms energy: -55.765673
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.172
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: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -203.923192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.923192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.923192 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.062
local terms energy: -80.357427
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -171.515140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.515140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.515140 (E_RNA)
where:
Base-Base interactions energy: -106.434
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.236
local terms energy: -64.844816
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -5.254
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -119.739096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.739096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.739096 (E_RNA)
where:
Base-Base interactions energy: -53.897
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.018
local terms energy: -65.824087
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -129.743548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.743548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.743548 (E_RNA)
where:
Base-Base interactions energy: -68.780
where: short stacking energy: -38.374
Base-Backbone interact. energy: -0.205
local terms energy: -60.758061
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -129.790467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.790467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.790467 (E_RNA)
where:
Base-Base interactions energy: -71.493
where: short stacking energy: -39.322
Base-Backbone interact. energy: -0.560
local terms energy: -57.737729
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.728
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: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -106.811762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.811762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.811762 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -37.029
Base-Backbone interact. energy: -0.127
local terms energy: -61.451602
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -103.587126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.587126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.587126 (E_RNA)
where:
Base-Base interactions energy: -42.973
where: short stacking energy: -42.973
Base-Backbone interact. energy: 0.791
local terms energy: -61.404573
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -8.850
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: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -85.510798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.510798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.510798 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.118
local terms energy: -53.690292
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -75.779388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.779388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.779388 (E_RNA)
where:
Base-Base interactions energy: -24.735
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.471
local terms energy: -50.572998
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -89.248083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248083 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -35.083
Base-Backbone interact. energy: -1.158
local terms energy: -53.006511
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -190.980886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980886 (E_RNA)
where:
Base-Base interactions energy: -118.551
where: short stacking energy: -69.623
Base-Backbone interact. energy: -0.088
local terms energy: -72.341424
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -7.955
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -165.302604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.302604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.302604 (E_RNA)
where:
Base-Base interactions energy: -99.507
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.726
local terms energy: -65.069172
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -9.054
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -101.661106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661106 (E_RNA)
where:
Base-Base interactions energy: -40.083
where: short stacking energy: -38.409
Base-Backbone interact. energy: -0.075
local terms energy: -61.502281
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -7.219
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: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -126.706222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.706222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.706222 (E_RNA)
where:
Base-Base interactions energy: -68.487
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.102
local terms energy: -58.117198
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -130.301479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.301479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.301479 (E_RNA)
where:
Base-Base interactions energy: -68.320
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.068
local terms energy: -61.912685
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -11.957
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -112.595902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.595902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.595902 (E_RNA)
where:
Base-Base interactions energy: -55.989
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.180
local terms energy: -56.426565
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -103.824383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.824383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.824383 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -40.838
Base-Backbone interact. energy: -0.020
local terms energy: -56.143545
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -8.538
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: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -93.226629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.226629 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -31.403
Base-Backbone interact. energy: -0.158
local terms energy: -61.666417
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -79.883682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.883682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.883682 (E_RNA)
where:
Base-Base interactions energy: -27.113
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.109
local terms energy: -52.661812
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -79.016878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016878 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.205
local terms energy: -46.337007
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: 1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -197.931942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.931942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.931942 (E_RNA)
where:
Base-Base interactions energy: -119.107
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.005
local terms energy: -78.819996
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -193.002649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002649 (E_RNA)
where:
Base-Base interactions energy: -126.586
where: short stacking energy: -58.566
Base-Backbone interact. energy: -0.109
local terms energy: -66.307881
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -14.105
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -115.644530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.644530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.644530 (E_RNA)
where:
Base-Base interactions energy: -52.004
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.006
local terms energy: -63.634628
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -116.789633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.789633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.789633 (E_RNA)
where:
Base-Base interactions energy: -64.494
where: short stacking energy: -49.919
Base-Backbone interact. energy: -0.105
local terms energy: -52.190952
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -9.209
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -106.004612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.004612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.004612 (E_RNA)
where:
Base-Base interactions energy: -42.967
where: short stacking energy: -42.967
Base-Backbone interact. energy: -0.145
local terms energy: -62.893230
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -113.495268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.495268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.495268 (E_RNA)
where:
Base-Base interactions energy: -55.144
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.021
local terms energy: -58.330169
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -5.474
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -91.346487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346487 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -34.396
Base-Backbone interact. energy: -0.392
local terms energy: -52.847377
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -92.728617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.728617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.728617 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -29.324
Base-Backbone interact. energy: -1.268
local terms energy: -42.500431
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -3.627
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: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.057777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057777 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.133
local terms energy: -53.852539
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -74.371843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371843 (E_RNA)
where:
Base-Base interactions energy: -35.842
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.292
local terms energy: -38.237376
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -7.782
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -204.495465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.495465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495465 (E_RNA)
where:
Base-Base interactions energy: -124.477
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.013
local terms energy: -80.005501
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -22.667
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: 159
Temperature: 0.950000
Total energy: -182.770795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.770795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.770795 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -53.607
Base-Backbone interact. energy: 0.387
local terms energy: -67.029818
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -119.922113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.922113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.922113 (E_RNA)
where:
Base-Base interactions energy: -63.372
where: short stacking energy: -46.100
Base-Backbone interact. energy: -1.075
local terms energy: -55.474940
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -122.298059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.298059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.298059 (E_RNA)
where:
Base-Base interactions energy: -56.275
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.594
local terms energy: -65.429336
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.051
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: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -110.195897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.195897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.195897 (E_RNA)
where:
Base-Base interactions energy: -55.484
where: short stacking energy: -42.081
Base-Backbone interact. energy: -0.430
local terms energy: -54.282068
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -104.516365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516365 (E_RNA)
where:
Base-Base interactions energy: -47.723
where: short stacking energy: -46.097
Base-Backbone interact. energy: -0.002
local terms energy: -56.792186
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -90.231861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231861 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.166
local terms energy: -50.131422
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -95.622528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622528 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -24.934
Base-Backbone interact. energy: -0.277
local terms energy: -53.146697
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -77.833618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.833618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.833618 (E_RNA)
where:
Base-Base interactions energy: -30.243
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.229
local terms energy: -47.361588
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -10.518
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: 159
Temperature: 1.350000
Total energy: -73.218396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.218396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.218396 (E_RNA)
where:
Base-Base interactions energy: -21.542
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.145
local terms energy: -51.531620
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -196.696281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.696281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.696281 (E_RNA)
where:
Base-Base interactions energy: -129.899
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.629
local terms energy: -66.168296
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -198.942916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942916 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.036
local terms energy: -79.003728
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -22.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -130.832181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.832181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.832181 (E_RNA)
where:
Base-Base interactions energy: -61.230
where: short stacking energy: -45.574
Base-Backbone interact. energy: -0.760
local terms energy: -68.841786
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -13.045
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -121.403585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.403585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.403585 (E_RNA)
where:
Base-Base interactions energy: -55.556
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.499
local terms energy: -65.348043
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -123.847047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.847047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.847047 (E_RNA)
where:
Base-Base interactions energy: -57.777
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.412
local terms energy: -65.657847
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -101.817356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.817356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.817356 (E_RNA)
where:
Base-Base interactions energy: -49.225
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.118
local terms energy: -52.474494
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -98.226913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.226913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.226913 (E_RNA)
where:
Base-Base interactions energy: -42.639
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.136
local terms energy: -55.451801
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -88.825899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825899 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -29.896
Base-Backbone interact. energy: 0.204
local terms energy: -52.385157
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -7.256
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.364465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.364465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.364465 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.098
local terms energy: -58.698081
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -73.127742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.127742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.127742 (E_RNA)
where:
Base-Base interactions energy: -25.533
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.250
local terms energy: -47.345213
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -190.463746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.463746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.463746 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.028
local terms energy: -75.518648
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -195.279861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.279861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.279861 (E_RNA)
where:
Base-Base interactions energy: -114.732
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.071
local terms energy: -80.476703
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -150.863385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.863385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.863385 (E_RNA)
where:
Base-Base interactions energy: -82.681
where: short stacking energy: -48.454
Base-Backbone interact. energy: -0.091
local terms energy: -68.091198
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -114.078521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.078521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.078521 (E_RNA)
where:
Base-Base interactions energy: -52.505
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.002
local terms energy: -61.571422
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -123.101090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.101090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.101090 (E_RNA)
where:
Base-Base interactions energy: -56.357
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.113
local terms energy: -66.630822
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -123.085838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.085838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.085838 (E_RNA)
where:
Base-Base interactions energy: -66.550
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.119
local terms energy: -56.416739
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -92.243196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243196 (E_RNA)
where:
Base-Base interactions energy: -38.968
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.113
local terms energy: -53.162071
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -9.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -99.309501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.309501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.309501 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.181
local terms energy: -63.347364
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -72.336873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.336873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.336873 (E_RNA)
where:
Base-Base interactions energy: -21.525
where: short stacking energy: -21.525
Base-Backbone interact. energy: -0.244
local terms energy: -50.567448
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.331366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331366 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -25.526
Base-Backbone interact. energy: 4.304
local terms energy: -53.197818
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -193.781499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781499 (E_RNA)
where:
Base-Base interactions energy: -114.958
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.002
local terms energy: -78.821473
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -185.083107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.083107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.083107 (E_RNA)
where:
Base-Base interactions energy: -116.295
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.053
local terms energy: -68.734394
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -152.129540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.129540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.129540 (E_RNA)
where:
Base-Base interactions energy: -88.558
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.438
local terms energy: -63.133335
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.661
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: 162
Temperature: 1.050000
Total energy: -135.884778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.884778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.884778 (E_RNA)
where:
Base-Base interactions energy: -73.263
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.654
local terms energy: -61.967956
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -101.392752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.392752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.392752 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -37.907
Base-Backbone interact. energy: 0.465
local terms energy: -62.877279
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -7.907
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: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -96.636619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.636619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.636619 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.040
local terms energy: -53.324939
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.657
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: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -88.663379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663379 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.124
local terms energy: -54.984969
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -86.038557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038557 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -26.196
Base-Backbone interact. energy: 1.195
local terms energy: -54.335808
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.867
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: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -86.894871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.894871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.894871 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -32.973
Base-Backbone interact. energy: -0.204
local terms energy: -51.589353
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -71.731340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.731340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.731340 (E_RNA)
where:
Base-Base interactions energy: -24.699
where: short stacking energy: -14.631
Base-Backbone interact. energy: -1.324
local terms energy: -45.708581
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: 3.078
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: 163
Temperature: 0.900000
Total energy: -202.886048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.886048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.886048 (E_RNA)
where:
Base-Base interactions energy: -123.060
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.011
local terms energy: -79.814659
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -177.828600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.828600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.828600 (E_RNA)
where:
Base-Base interactions energy: -106.017
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.138
local terms energy: -71.673008
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -131.130444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.130444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.130444 (E_RNA)
where:
Base-Base interactions energy: -67.798
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.100
local terms energy: -63.232660
where:
bonds (distance) C4'-P energy: -7.366
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -13.585
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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -134.735112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.735112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.735112 (E_RNA)
where:
Base-Base interactions energy: -80.306
where: short stacking energy: -48.626
Base-Backbone interact. energy: -0.048
local terms energy: -54.381002
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -104.040524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040524 (E_RNA)
where:
Base-Base interactions energy: -52.757
where: short stacking energy: -36.422
Base-Backbone interact. energy: -0.285
local terms energy: -50.997671
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -4.218
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: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -93.247712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.247712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.247712 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -39.487
Base-Backbone interact. energy: -0.036
local terms energy: -53.724501
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -102.826462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.826462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.826462 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -33.430
Base-Backbone interact. energy: -0.172
local terms energy: -61.081027
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -81.094350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094350 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -22.122
Base-Backbone interact. energy: -0.759
local terms energy: -47.007255
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -79.202932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.202932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.202932 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.223
local terms energy: -45.602633
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -7.022
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: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -80.172856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172856 (E_RNA)
where:
Base-Base interactions energy: -20.925
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.215
local terms energy: -59.033117
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -204.077604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.077604 (E_RNA)
where:
Base-Base interactions energy: -124.084
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.547
local terms energy: -79.447218
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -177.774252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.774252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.774252 (E_RNA)
where:
Base-Base interactions energy: -102.187
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.147
local terms energy: -75.440440
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.566
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: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -147.277113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.277113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.277113 (E_RNA)
where:
Base-Base interactions energy: -85.781
where: short stacking energy: -49.404
Base-Backbone interact. energy: 0.158
local terms energy: -61.654284
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -106.091858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.091858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.091858 (E_RNA)
where:
Base-Base interactions energy: -48.609
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.029
local terms energy: -57.453971
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -99.709128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.709128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.709128 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.136
local terms energy: -55.216936
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -9.548
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: 164
Temperature: 1.150000
Total energy: -101.549865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.549865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.549865 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -39.188
Base-Backbone interact. energy: -0.006
local terms energy: -61.381404
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -96.691408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.691408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.691408 (E_RNA)
where:
Base-Base interactions energy: -42.334
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.014
local terms energy: -54.343704
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -91.635792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.635792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.635792 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.113
local terms energy: -59.503193
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.555
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: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -80.167455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167455 (E_RNA)
where:
Base-Base interactions energy: -24.279
where: short stacking energy: -20.644
Base-Backbone interact. energy: -0.200
local terms energy: -55.688201
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -92.831645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831645 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -20.415
Base-Backbone interact. energy: 6.149
local terms energy: -57.625530
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -1.558
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -205.634438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.634438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.634438 (E_RNA)
where:
Base-Base interactions energy: -131.433
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.104
local terms energy: -74.097164
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -18.482
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: 165
Temperature: 0.950000
Total energy: -166.913628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.913628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.913628 (E_RNA)
where:
Base-Base interactions energy: -94.056
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.566
local terms energy: -72.291840
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -145.930926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.930926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.930926 (E_RNA)
where:
Base-Base interactions energy: -86.077
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.213
local terms energy: -59.641715
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -12.129
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: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -121.654330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.654330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.654330 (E_RNA)
where:
Base-Base interactions energy: -60.447
where: short stacking energy: -46.300
Base-Backbone interact. energy: -0.733
local terms energy: -60.473899
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -9.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -110.996290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.996290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.996290 (E_RNA)
where:
Base-Base interactions energy: -47.058
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.327
local terms energy: -63.610931
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -91.562972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.562972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.562972 (E_RNA)
where:
Base-Base interactions energy: -40.211
where: short stacking energy: -37.304
Base-Backbone interact. energy: -0.040
local terms energy: -51.312094
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -6.684
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -93.242912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.242912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.242912 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -31.125
Base-Backbone interact. energy: -0.306
local terms energy: -56.033058
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -82.810845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.810845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.810845 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -23.276
Base-Backbone interact. energy: -0.177
local terms energy: -51.253183
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -85.994112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.994112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.994112 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.054
local terms energy: -52.565135
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -11.577
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: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -76.360170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360170 (E_RNA)
where:
Base-Base interactions energy: -25.961
where: short stacking energy: -23.396
Base-Backbone interact. energy: 0.444
local terms energy: -50.842928
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: 2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -202.858206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.858206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.858206 (E_RNA)
where:
Base-Base interactions energy: -125.775
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.038
local terms energy: -77.044576
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -168.926466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.926466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.926466 (E_RNA)
where:
Base-Base interactions energy: -100.125
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.020
local terms energy: -68.782261
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -131.787259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.787259 (E_RNA)
where:
Base-Base interactions energy: -70.862
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.066
local terms energy: -60.859313
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -8.920
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: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -99.978170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.978170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.978170 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -35.986
Base-Backbone interact. energy: -0.017
local terms energy: -63.974808
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -91.819226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819226 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.017
local terms energy: -60.405510
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -118.995417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.995417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.995417 (E_RNA)
where:
Base-Base interactions energy: -59.309
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.333
local terms energy: -59.353144
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -93.237163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237163 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -27.430
Base-Backbone interact. energy: -0.579
local terms energy: -46.189899
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -2.408
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.526101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.526101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.526101 (E_RNA)
where:
Base-Base interactions energy: -30.302
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.181
local terms energy: -53.042888
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: 1.698
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -85.557896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557896 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -26.360
Base-Backbone interact. energy: -0.257
local terms energy: -44.635229
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -77.270367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.270367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.270367 (E_RNA)
where:
Base-Base interactions energy: -27.096
where: short stacking energy: -26.358
Base-Backbone interact. energy: 0.405
local terms energy: -50.578829
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -207.383933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.383933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.383933 (E_RNA)
where:
Base-Base interactions energy: -133.312
where: short stacking energy: -72.208
Base-Backbone interact. energy: -1.468
local terms energy: -72.603290
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -16.259
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: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -180.141586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.141586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.141586 (E_RNA)
where:
Base-Base interactions energy: -104.971
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.012
local terms energy: -75.158317
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -129.274350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.274350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.274350 (E_RNA)
where:
Base-Base interactions energy: -67.918
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.167
local terms energy: -61.189355
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -107.595678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.595678 (E_RNA)
where:
Base-Base interactions energy: -54.301
where: short stacking energy: -43.170
Base-Backbone interact. energy: -0.231
local terms energy: -53.063455
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -106.900117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.900117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.900117 (E_RNA)
where:
Base-Base interactions energy: -51.972
where: short stacking energy: -29.707
Base-Backbone interact. energy: -0.119
local terms energy: -54.809526
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -10.926
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -118.319239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.319239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.319239 (E_RNA)
where:
Base-Base interactions energy: -66.990
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.116
local terms energy: -51.213993
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -3.469
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: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -112.032562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.032562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.032562 (E_RNA)
where:
Base-Base interactions energy: -53.623
where: short stacking energy: -36.435
Base-Backbone interact. energy: 0.089
local terms energy: -58.498707
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -83.379763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379763 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.158
local terms energy: -46.519442
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: 0.854
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -77.609183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.609183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.609183 (E_RNA)
where:
Base-Base interactions energy: -24.331
where: short stacking energy: -21.779
Base-Backbone interact. energy: -0.202
local terms energy: -53.076001
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -75.474843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.474843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.474843 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -23.360
Base-Backbone interact. energy: -0.310
local terms energy: -39.691588
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: 2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -207.474467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.474467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.474467 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -73.693
Base-Backbone interact. energy: -1.664
local terms energy: -72.511409
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.294
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: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -166.146030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.146030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.146030 (E_RNA)
where:
Base-Base interactions energy: -101.915
where: short stacking energy: -55.864
Base-Backbone interact. energy: -0.607
local terms energy: -63.623348
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -131.952547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.952547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.952547 (E_RNA)
where:
Base-Base interactions energy: -58.612
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.002
local terms energy: -73.338737
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -116.882115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.882115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.882115 (E_RNA)
where:
Base-Base interactions energy: -62.875
where: short stacking energy: -41.944
Base-Backbone interact. energy: 0.761
local terms energy: -54.768089
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -151.736418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.736418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.736418 (E_RNA)
where:
Base-Base interactions energy: -86.118
where: short stacking energy: -48.771
Base-Backbone interact. energy: -0.056
local terms energy: -65.562691
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -94.486124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.486124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.486124 (E_RNA)
where:
Base-Base interactions energy: -44.487
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.083
local terms energy: -49.915466
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -6.459
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -80.173553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.173553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.173553 (E_RNA)
where:
Base-Base interactions energy: -36.184
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.905
local terms energy: -43.084859
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -75.498377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.498377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.498377 (E_RNA)
where:
Base-Base interactions energy: -35.821
where: short stacking energy: -20.038
Base-Backbone interact. energy: -0.388
local terms energy: -39.288942
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -85.318592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.318592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.318592 (E_RNA)
where:
Base-Base interactions energy: -36.041
where: short stacking energy: -30.855
Base-Backbone interact. energy: -0.384
local terms energy: -48.893156
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -7.426
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -3.291
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: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -73.302423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.302423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.302423 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -24.096
Base-Backbone interact. energy: 0.509
local terms energy: -38.648713
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -4.616
flat angles P-C4'-P energy: -8.177
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -198.880176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.880176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.880176 (E_RNA)
where:
Base-Base interactions energy: -120.811
where: short stacking energy: -61.956
Base-Backbone interact. energy: -0.085
local terms energy: -77.983636
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -185.705636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.705636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.705636 (E_RNA)
where:
Base-Base interactions energy: -110.327
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.046
local terms energy: -75.332109
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -120.975812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.975812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.975812 (E_RNA)
where:
Base-Base interactions energy: -58.109
where: short stacking energy: -48.481
Base-Backbone interact. energy: -0.200
local terms energy: -62.666734
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -8.568
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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -159.315527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.315527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.315527 (E_RNA)
where:
Base-Base interactions energy: -85.089
where: short stacking energy: -46.969
Base-Backbone interact. energy: -0.211
local terms energy: -74.015214
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -110.488384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.488384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.488384 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -50.008
Base-Backbone interact. energy: -0.653
local terms energy: -56.737362
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -100.940374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940374 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.013
local terms energy: -63.446897
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -91.108663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.108663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.108663 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -37.140
Base-Backbone interact. energy: 0.126
local terms energy: -54.094762
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -1.806
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -98.560553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.560553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.560553 (E_RNA)
where:
Base-Base interactions energy: -45.846
where: short stacking energy: -26.765
Base-Backbone interact. energy: 0.255
local terms energy: -52.969098
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -75.222422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.222422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.222422 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -22.395
Base-Backbone interact. energy: -0.077
local terms energy: -42.084511
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -76.737055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.737055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.737055 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -16.990
Base-Backbone interact. energy: -1.146
local terms energy: -48.549636
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -191.461625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.461625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.461625 (E_RNA)
where:
Base-Base interactions energy: -113.199
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.092
local terms energy: -78.170780
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -20.838
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: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -188.032214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032214 (E_RNA)
where:
Base-Base interactions energy: -117.403
where: short stacking energy: -67.163
Base-Backbone interact. energy: 1.591
local terms energy: -72.220746
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -174.141022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.141022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.141022 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.259
local terms energy: -67.013614
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -122.885513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.885513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.885513 (E_RNA)
where:
Base-Base interactions energy: -57.216
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.265
local terms energy: -65.404108
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -104.932122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.932122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.932122 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.164
local terms energy: -63.106964
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -94.196204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196204 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -37.311
Base-Backbone interact. energy: -0.633
local terms energy: -56.252140
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -5.140
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: 170
Temperature: 1.200000
Total energy: -85.154128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154128 (E_RNA)
where:
Base-Base interactions energy: -40.683
where: short stacking energy: -18.283
Base-Backbone interact. energy: 1.539
local terms energy: -46.010687
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -11.162
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: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.497781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.497781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.497781 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -34.124
Base-Backbone interact. energy: 0.504
local terms energy: -57.877084
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -76.195130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.195130 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -9.268
Base-Backbone interact. energy: -0.270
local terms energy: -42.102813
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: 6.822
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -74.129434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.129434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.129434 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.112
local terms energy: -42.090982
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -195.217526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.217526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.217526 (E_RNA)
where:
Base-Base interactions energy: -115.295
where: short stacking energy: -61.680
Base-Backbone interact. energy: -0.089
local terms energy: -79.833341
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -194.958754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.958754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.958754 (E_RNA)
where:
Base-Base interactions energy: -121.831
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.030
local terms energy: -73.097015
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -180.726958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.726958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.726958 (E_RNA)
where:
Base-Base interactions energy: -109.029
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.002
local terms energy: -71.695448
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -9.667
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -122.442781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.442781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.442781 (E_RNA)
where:
Base-Base interactions energy: -65.315
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.007
local terms energy: -57.120216
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -8.751
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: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -98.990161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.990161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.990161 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.121
local terms energy: -61.282251
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -96.586587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.586587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.586587 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.128
local terms energy: -58.807237
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.193
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: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -91.985185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.985185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.985185 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -22.996
Base-Backbone interact. energy: -0.180
local terms energy: -51.285147
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 2.817
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -84.561054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.561054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.561054 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.076
local terms energy: -52.924310
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -0.234
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: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -84.819637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.819637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.819637 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.224
local terms energy: -47.375299
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -0.129
tors. eta vs tors. theta energy: -5.659
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: 171
Temperature: 1.350000
Total energy: -72.785050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.785050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.785050 (E_RNA)
where:
Base-Base interactions energy: -29.517
where: short stacking energy: -22.734
Base-Backbone interact. energy: 0.889
local terms energy: -44.157135
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -198.197386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.197386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.197386 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.004
local terms energy: -77.263179
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -20.099
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: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -183.885177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.885177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.885177 (E_RNA)
where:
Base-Base interactions energy: -113.261
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.162
local terms energy: -70.461935
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -17.917
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: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -127.919479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.919479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.919479 (E_RNA)
where:
Base-Base interactions energy: -69.127
where: short stacking energy: -47.476
Base-Backbone interact. energy: -1.213
local terms energy: -57.579086
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -181.680269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.680269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.680269 (E_RNA)
where:
Base-Base interactions energy: -114.686
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.030
local terms energy: -66.964460
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -18.074
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: 172
Temperature: 1.100000
Total energy: -104.247845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.247845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.247845 (E_RNA)
where:
Base-Base interactions energy: -47.360
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.145
local terms energy: -56.743058
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.342
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: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -86.937342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.937342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.937342 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.864
local terms energy: -51.011577
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -99.044172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.044172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.044172 (E_RNA)
where:
Base-Base interactions energy: -42.513
where: short stacking energy: -42.513
Base-Backbone interact. energy: -0.038
local terms energy: -56.493224
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -11.574
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: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -91.696273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696273 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.160
local terms energy: -52.098607
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -9.561
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -86.063718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.063718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.063718 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.037
local terms energy: -50.217517
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.135350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135350 (E_RNA)
where:
Base-Base interactions energy: -25.675
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.599
local terms energy: -56.861809
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -202.598410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.598410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598410 (E_RNA)
where:
Base-Base interactions energy: -121.644
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.013
local terms energy: -80.941125
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -184.528276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.528276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.528276 (E_RNA)
where:
Base-Base interactions energy: -112.695
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.014
local terms energy: -71.818834
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -127.747780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.747780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.747780 (E_RNA)
where:
Base-Base interactions energy: -63.867
where: short stacking energy: -49.929
Base-Backbone interact. energy: -0.781
local terms energy: -63.100191
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -8.090
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: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -175.723921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.723921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.723921 (E_RNA)
where:
Base-Base interactions energy: -112.201
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.434
local terms energy: -63.089487
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -110.333613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.333613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.333613 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.942
local terms energy: -69.436780
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -101.708432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708432 (E_RNA)
where:
Base-Base interactions energy: -46.937
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.067
local terms energy: -54.704403
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -97.927279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927279 (E_RNA)
where:
Base-Base interactions energy: -40.252
where: short stacking energy: -39.844
Base-Backbone interact. energy: 0.263
local terms energy: -57.937725
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -82.097997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.097997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.097997 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.202
local terms energy: -52.443881
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.848
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: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -77.110556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.110556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.110556 (E_RNA)
where:
Base-Base interactions energy: -28.599
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.215
local terms energy: -48.296559
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.038
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -85.854034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.854034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.854034 (E_RNA)
where:
Base-Base interactions energy: -32.238
where: short stacking energy: -32.238
Base-Backbone interact. energy: -0.043
local terms energy: -53.572898
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -194.622516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.622516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.622516 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.283
local terms energy: -75.133712
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -17.933
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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -194.737171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.737171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.737171 (E_RNA)
where:
Base-Base interactions energy: -117.047
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.162
local terms energy: -77.528391
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -167.488515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.488515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.488515 (E_RNA)
where:
Base-Base interactions energy: -109.287
where: short stacking energy: -43.984
Base-Backbone interact. energy: -0.080
local terms energy: -58.121420
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -121.961810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.961810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.961810 (E_RNA)
where:
Base-Base interactions energy: -70.062
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.210
local terms energy: -51.690342
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -8.625
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: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -111.701832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.701832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.701832 (E_RNA)
where:
Base-Base interactions energy: -52.994
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.053
local terms energy: -58.655725
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -107.842242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.842242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.842242 (E_RNA)
where:
Base-Base interactions energy: -52.892
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.164
local terms energy: -54.786244
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -11.985
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: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -97.299993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.299993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.299993 (E_RNA)
where:
Base-Base interactions energy: -43.341
where: short stacking energy: -43.341
Base-Backbone interact. energy: -0.291
local terms energy: -53.667734
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -104.522617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.522617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.522617 (E_RNA)
where:
Base-Base interactions energy: -52.553
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.108
local terms energy: -51.862163
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.079154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.079154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.079154 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.449
local terms energy: -47.669263
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -10.068
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: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -73.889392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.889392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.889392 (E_RNA)
where:
Base-Base interactions energy: -26.867
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.068
local terms energy: -46.954420
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -200.942235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.942235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.942235 (E_RNA)
where:
Base-Base interactions energy: -121.183
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.001
local terms energy: -79.758361
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -22.479
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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -191.778430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.778430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.778430 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.020
local terms energy: -66.024429
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -165.140886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.140886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.140886 (E_RNA)
where:
Base-Base interactions energy: -104.235
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.542
local terms energy: -60.364659
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -127.075376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.075376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.075376 (E_RNA)
where:
Base-Base interactions energy: -70.242
where: short stacking energy: -36.061
Base-Backbone interact. energy: -0.250
local terms energy: -56.583713
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -102.744837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.744837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.744837 (E_RNA)
where:
Base-Base interactions energy: -41.748
where: short stacking energy: -39.582
Base-Backbone interact. energy: -0.177
local terms energy: -60.819639
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -10.087
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: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -98.808588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.808588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.808588 (E_RNA)
where:
Base-Base interactions energy: -45.189
where: short stacking energy: -45.189
Base-Backbone interact. energy: -0.080
local terms energy: -53.538995
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -104.285143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.285143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.285143 (E_RNA)
where:
Base-Base interactions energy: -48.971
where: short stacking energy: -30.217
Base-Backbone interact. energy: 0.302
local terms energy: -55.616529
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -84.080691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.080691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.080691 (E_RNA)
where:
Base-Base interactions energy: -22.720
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.102
local terms energy: -61.258239
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.708
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.279858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279858 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.062
local terms energy: -51.105787
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -2.670
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: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -78.434702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434702 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -18.441
Base-Backbone interact. energy: -0.205
local terms energy: -44.853699
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: 0.079
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -195.378672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378672 (E_RNA)
where:
Base-Base interactions energy: -126.729
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.012
local terms energy: -68.638111
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.805
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: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -188.635205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.635205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.635205 (E_RNA)
where:
Base-Base interactions energy: -118.697
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.450
local terms energy: -69.487795
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -146.732028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.732028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.732028 (E_RNA)
where:
Base-Base interactions energy: -85.570
where: short stacking energy: -49.374
Base-Backbone interact. energy: 1.437
local terms energy: -62.598651
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -166.945872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.945872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.945872 (E_RNA)
where:
Base-Base interactions energy: -89.207
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.022
local terms energy: -77.717353
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -130.519535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.519535 (E_RNA)
where:
Base-Base interactions energy: -74.811
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.155
local terms energy: -55.553632
where:
bonds (distance) C4'-P energy: -6.770
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -9.208
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: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -101.673552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.673552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.673552 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.078
local terms energy: -64.944052
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -8.002
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: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -94.146056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146056 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -39.824
Base-Backbone interact. energy: -0.321
local terms energy: -54.001483
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -83.218934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218934 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -23.943
Base-Backbone interact. energy: -0.321
local terms energy: -42.704524
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 1.989
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: 176
Temperature: 1.300000
Total energy: -96.733848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.733848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.733848 (E_RNA)
where:
Base-Base interactions energy: -49.763
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.151
local terms energy: -46.819951
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -5.747
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: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -84.825483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.825483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.825483 (E_RNA)
where:
Base-Base interactions energy: -32.952
where: short stacking energy: -31.756
Base-Backbone interact. energy: 2.392
local terms energy: -54.265491
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -195.684349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684349 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -71.891
Base-Backbone interact. energy: -0.001
local terms energy: -74.630505
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -180.385872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.385872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.385872 (E_RNA)
where:
Base-Base interactions energy: -113.211
where: short stacking energy: -58.726
Base-Backbone interact. energy: -0.199
local terms energy: -66.975850
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.087
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -145.460287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.460287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.460287 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.106
local terms energy: -55.942605
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.542
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: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -137.717271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.717271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.717271 (E_RNA)
where:
Base-Base interactions energy: -73.211
where: short stacking energy: -46.594
Base-Backbone interact. energy: -0.384
local terms energy: -64.122204
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -142.685925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.685925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.685925 (E_RNA)
where:
Base-Base interactions energy: -78.442
where: short stacking energy: -54.614
Base-Backbone interact. energy: -0.144
local terms energy: -64.099760
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.465
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: 177
Temperature: 1.150000
Total energy: -106.622033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.622033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.622033 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -43.778
Base-Backbone interact. energy: -0.283
local terms energy: -59.119881
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -95.405907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.405907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.405907 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.239
local terms energy: -50.659177
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -86.403709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403709 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.225
local terms energy: -51.185657
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.217
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: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.694910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694910 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -30.426
Base-Backbone interact. energy: -0.478
local terms energy: -48.044652
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -7.761
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: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -108.210605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.210605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.210605 (E_RNA)
where:
Base-Base interactions energy: -52.341
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.174
local terms energy: -55.695747
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -195.457369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.457369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.457369 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.218
local terms energy: -71.183633
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -15.080
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: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -181.541618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.541618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.541618 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.012
local terms energy: -67.536963
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -15.339
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -136.576622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.576622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.576622 (E_RNA)
where:
Base-Base interactions energy: -72.617
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.384
local terms energy: -63.575710
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -134.046353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.046353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.046353 (E_RNA)
where:
Base-Base interactions energy: -77.798
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.659
local terms energy: -55.589335
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -127.094660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.094660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.094660 (E_RNA)
where:
Base-Base interactions energy: -66.612
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.045
local terms energy: -60.437733
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -99.175302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175302 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.095
local terms energy: -48.147646
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -2.427
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -93.462325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.462325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.462325 (E_RNA)
where:
Base-Base interactions energy: -48.095
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.049
local terms energy: -45.318118
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -3.423
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: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -93.472030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.472030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.472030 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -17.749
Base-Backbone interact. energy: -0.106
local terms energy: -57.600939
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -82.835587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.835587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.835587 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.071
local terms energy: -51.826660
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -78.104594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.104594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.104594 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -28.314
Base-Backbone interact. energy: 0.249
local terms energy: -50.040107
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -4.137
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -189.652209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.652209 (E_RNA)
where:
Base-Base interactions energy: -119.506
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.494
local terms energy: -69.652589
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -193.123117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.123117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123117 (E_RNA)
where:
Base-Base interactions energy: -119.569
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.004
local terms energy: -73.550339
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.848
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: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -153.568063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.568063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.568063 (E_RNA)
where:
Base-Base interactions energy: -85.008
where: short stacking energy: -49.093
Base-Backbone interact. energy: 0.831
local terms energy: -69.390868
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -137.250678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.250678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.250678 (E_RNA)
where:
Base-Base interactions energy: -68.672
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.545
local terms energy: -68.033810
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -12.943
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: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -125.550397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.550397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.550397 (E_RNA)
where:
Base-Base interactions energy: -76.757
where: short stacking energy: -32.473
Base-Backbone interact. energy: 0.357
local terms energy: -49.151042
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -84.958622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.958622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.958622 (E_RNA)
where:
Base-Base interactions energy: -30.089
where: short stacking energy: -29.197
Base-Backbone interact. energy: -0.608
local terms energy: -54.261816
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -8.218
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -87.088084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.088084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.088084 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.251
local terms energy: -56.498777
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.068
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: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -93.922431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.922431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.922431 (E_RNA)
where:
Base-Base interactions energy: -45.248
where: short stacking energy: -20.661
Base-Backbone interact. energy: -0.312
local terms energy: -48.362272
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -74.286404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.286404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.286404 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.402
local terms energy: -43.591358
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -4.040
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -77.790514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.790514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.790514 (E_RNA)
where:
Base-Base interactions energy: -29.284
where: short stacking energy: -28.801
Base-Backbone interact. energy: 1.100
local terms energy: -49.605929
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -192.413309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.413309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.413309 (E_RNA)
where:
Base-Base interactions energy: -119.888
where: short stacking energy: -68.094
Base-Backbone interact. energy: 1.815
local terms energy: -74.340804
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.334
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: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -190.869070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.869070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.869070 (E_RNA)
where:
Base-Base interactions energy: -122.786
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.232
local terms energy: -67.850344
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -153.840764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.840764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.840764 (E_RNA)
where:
Base-Base interactions energy: -85.166
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.118
local terms energy: -68.556921
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -16.329
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -139.285931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.285931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.285931 (E_RNA)
where:
Base-Base interactions energy: -75.496
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.005
local terms energy: -63.784643
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.576
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: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -99.980226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980226 (E_RNA)
where:
Base-Base interactions energy: -45.241
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.175
local terms energy: -54.564126
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -95.953479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.953479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.953479 (E_RNA)
where:
Base-Base interactions energy: -38.138
where: short stacking energy: -32.898
Base-Backbone interact. energy: -0.039
local terms energy: -57.776501
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -9.607
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -87.018495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018495 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -33.630
Base-Backbone interact. energy: 3.097
local terms energy: -56.485372
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -8.625
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: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -80.070065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.070065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.070065 (E_RNA)
where:
Base-Base interactions energy: -34.457
where: short stacking energy: -29.234
Base-Backbone interact. energy: 0.759
local terms energy: -46.371717
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -74.246197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.246197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.246197 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -25.617
Base-Backbone interact. energy: -0.207
local terms energy: -47.377475
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -69.646361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.646361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.646361 (E_RNA)
where:
Base-Base interactions energy: -29.254
where: short stacking energy: -20.809
Base-Backbone interact. energy: 1.134
local terms energy: -41.527013
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: 5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -205.599583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.599583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.599583 (E_RNA)
where:
Base-Base interactions energy: -129.030
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.628
local terms energy: -75.941312
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -189.029948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029948 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.038
local terms energy: -67.375202
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -119.826851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.826851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.826851 (E_RNA)
where:
Base-Base interactions energy: -67.108
where: short stacking energy: -27.423
Base-Backbone interact. energy: 1.610
local terms energy: -54.329559
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -157.976284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.976284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.976284 (E_RNA)
where:
Base-Base interactions energy: -94.266
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.097
local terms energy: -63.613497
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -137.477327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477327 (E_RNA)
where:
Base-Base interactions energy: -91.759
where: short stacking energy: -45.763
Base-Backbone interact. energy: -0.326
local terms energy: -45.391911
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -99.560377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560377 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -37.537
Base-Backbone interact. energy: 2.294
local terms energy: -57.762562
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -7.448
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -96.810850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.810850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.810850 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.302
local terms energy: -61.702574
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -90.226105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226105 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -39.296
Base-Backbone interact. energy: -0.400
local terms energy: -47.466986
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -8.509
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -78.798890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.798890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.798890 (E_RNA)
where:
Base-Base interactions energy: -21.005
where: short stacking energy: -21.005
Base-Backbone interact. energy: -0.604
local terms energy: -57.190171
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -9.598
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: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -96.171596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.171596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.171596 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.278
local terms energy: -54.561737
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -206.490932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.490932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.490932 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -71.038
Base-Backbone interact. energy: -1.243
local terms energy: -83.414145
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -24.499
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: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -178.501023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.501023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.501023 (E_RNA)
where:
Base-Base interactions energy: -109.105
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.138
local terms energy: -69.257197
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -12.865
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -173.725946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.725946 (E_RNA)
where:
Base-Base interactions energy: -109.590
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.164
local terms energy: -63.972346
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -120.788123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.788123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.788123 (E_RNA)
where:
Base-Base interactions energy: -63.848
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.163
local terms energy: -56.777324
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -113.538295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.538295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.538295 (E_RNA)
where:
Base-Base interactions energy: -50.304
where: short stacking energy: -42.177
Base-Backbone interact. energy: -0.570
local terms energy: -62.664324
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -131.259651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.259651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.259651 (E_RNA)
where:
Base-Base interactions energy: -71.228
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.220
local terms energy: -59.811139
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -81.396429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.396429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.396429 (E_RNA)
where:
Base-Base interactions energy: -26.699
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.236
local terms energy: -54.462063
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -85.827952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.827952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.827952 (E_RNA)
where:
Base-Base interactions energy: -27.478
where: short stacking energy: -27.478
Base-Backbone interact. energy: -0.303
local terms energy: -58.046622
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -90.146403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.146403 (E_RNA)
where:
Base-Base interactions energy: -45.848
where: short stacking energy: -28.603
Base-Backbone interact. energy: 2.444
local terms energy: -46.742871
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -3.083
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -68.569899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.569899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.569899 (E_RNA)
where:
Base-Base interactions energy: -20.855
where: short stacking energy: -20.855
Base-Backbone interact. energy: 0.575
local terms energy: -48.289656
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: 0.722
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -212.583281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.583281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.583281 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -74.516
Base-Backbone interact. energy: 0.327
local terms energy: -79.760415
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -20.799
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -170.547620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.547620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.547620 (E_RNA)
where:
Base-Base interactions energy: -102.249
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.002
local terms energy: -68.296486
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -11.128
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: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -182.011696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.011696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.011696 (E_RNA)
where:
Base-Base interactions energy: -113.068
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.058
local terms energy: -68.885457
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -21.689
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: 183
Temperature: 1.050000
Total energy: -127.418368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.418368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.418368 (E_RNA)
where:
Base-Base interactions energy: -65.874
where: short stacking energy: -32.547
Base-Backbone interact. energy: -1.170
local terms energy: -60.374420
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -109.452349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.452349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.452349 (E_RNA)
where:
Base-Base interactions energy: -57.929
where: short stacking energy: -23.814
Base-Backbone interact. energy: -0.540
local terms energy: -50.983299
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -99.106524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.106524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.106524 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.049
local terms energy: -57.842257
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -97.214330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.214330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.214330 (E_RNA)
where:
Base-Base interactions energy: -41.401
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.173
local terms energy: -55.640690
where:
bonds (distance) C4'-P energy: -6.559
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.266
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: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -77.166744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166744 (E_RNA)
where:
Base-Base interactions energy: -29.374
where: short stacking energy: -21.454
Base-Backbone interact. energy: -0.102
local terms energy: -47.690877
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -76.460846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.460846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.460846 (E_RNA)
where:
Base-Base interactions energy: -24.931
where: short stacking energy: -21.717
Base-Backbone interact. energy: -0.970
local terms energy: -50.559250
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -2.291
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: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -74.771160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.771160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.771160 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -24.758
Base-Backbone interact. energy: 0.693
local terms energy: -39.465656
where:
bonds (distance) C4'-P energy: -7.174
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -207.946262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.946262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.946262 (E_RNA)
where:
Base-Base interactions energy: -128.178
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.344
local terms energy: -79.423833
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -179.880724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.880724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.880724 (E_RNA)
where:
Base-Base interactions energy: -101.515
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.005
local terms energy: -78.360929
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -175.246106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.246106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.246106 (E_RNA)
where:
Base-Base interactions energy: -104.298
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.169
local terms energy: -70.779272
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.631
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: 184
Temperature: 1.050000
Total energy: -116.851718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.851718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.851718 (E_RNA)
where:
Base-Base interactions energy: -54.726
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.014
local terms energy: -62.112634
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -102.237899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.237899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.237899 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.168
local terms energy: -55.759881
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -9.107
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: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -123.970420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.970420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.970420 (E_RNA)
where:
Base-Base interactions energy: -59.848
where: short stacking energy: -37.532
Base-Backbone interact. energy: -0.267
local terms energy: -63.855307
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -93.075775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075775 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -30.672
Base-Backbone interact. energy: -0.065
local terms energy: -49.724119
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -79.301001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.301001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.301001 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.029
local terms energy: -44.771926
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -86.102790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.102790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.102790 (E_RNA)
where:
Base-Base interactions energy: -35.449
where: short stacking energy: -18.920
Base-Backbone interact. energy: 2.396
local terms energy: -53.050063
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -9.659
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: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -77.762974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.762974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.762974 (E_RNA)
where:
Base-Base interactions energy: -26.262
where: short stacking energy: -22.583
Base-Backbone interact. energy: -0.430
local terms energy: -51.071391
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -193.135216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.135216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.135216 (E_RNA)
where:
Base-Base interactions energy: -117.648
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.001
local terms energy: -75.486608
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -18.832
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: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -171.802596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.802596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.802596 (E_RNA)
where:
Base-Base interactions energy: -100.425
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.088
local terms energy: -71.289976
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -176.576708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.576708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.576708 (E_RNA)
where:
Base-Base interactions energy: -110.871
where: short stacking energy: -56.842
Base-Backbone interact. energy: 1.816
local terms energy: -67.521652
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -120.533337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.533337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.533337 (E_RNA)
where:
Base-Base interactions energy: -66.969
where: short stacking energy: -35.635
Base-Backbone interact. energy: 0.200
local terms energy: -53.765097
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -110.557967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.557967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.557967 (E_RNA)
where:
Base-Base interactions energy: -53.459
where: short stacking energy: -40.535
Base-Backbone interact. energy: 0.422
local terms energy: -57.520924
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -111.981488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.981488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.981488 (E_RNA)
where:
Base-Base interactions energy: -54.237
where: short stacking energy: -38.919
Base-Backbone interact. energy: -1.341
local terms energy: -56.403443
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -98.737246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.737246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.737246 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -29.828
Base-Backbone interact. energy: -0.526
local terms energy: -48.967826
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -73.773443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.773443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.773443 (E_RNA)
where:
Base-Base interactions energy: -27.819
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.061
local terms energy: -45.894066
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -81.690006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.690006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.690006 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -19.129
Base-Backbone interact. energy: -0.464
local terms energy: -45.793371
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -2.746
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: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.861704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.861704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.861704 (E_RNA)
where:
Base-Base interactions energy: -25.322
where: short stacking energy: -24.373
Base-Backbone interact. energy: -0.245
local terms energy: -56.295522
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -201.485117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.485117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.485117 (E_RNA)
where:
Base-Base interactions energy: -124.032
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.003
local terms energy: -77.450407
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -18.443
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: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -180.175009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.175009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.175009 (E_RNA)
where:
Base-Base interactions energy: -110.450
where: short stacking energy: -55.095
Base-Backbone interact. energy: 0.222
local terms energy: -69.947388
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -131.848873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.848873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.848873 (E_RNA)
where:
Base-Base interactions energy: -70.888
where: short stacking energy: -37.995
Base-Backbone interact. energy: -0.418
local terms energy: -60.542727
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -160.068072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.068072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.068072 (E_RNA)
where:
Base-Base interactions energy: -94.980
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.092
local terms energy: -64.996477
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -11.530
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: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -107.488338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488338 (E_RNA)
where:
Base-Base interactions energy: -48.599
where: short stacking energy: -38.260
Base-Backbone interact. energy: -0.031
local terms energy: -58.858326
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -7.613
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: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -94.369179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369179 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.369
local terms energy: -57.829380
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -90.704385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.704385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.704385 (E_RNA)
where:
Base-Base interactions energy: -48.140
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.003
local terms energy: -42.561779
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -3.275
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -105.938876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938876 (E_RNA)
where:
Base-Base interactions energy: -54.560
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.148
local terms energy: -51.231480
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -10.267
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: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -88.333606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.333606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.333606 (E_RNA)
where:
Base-Base interactions energy: -42.645
where: short stacking energy: -35.535
Base-Backbone interact. energy: -0.002
local terms energy: -45.685890
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: -8.145
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: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -72.602555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.602555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.602555 (E_RNA)
where:
Base-Base interactions energy: -22.170
where: short stacking energy: -14.132
Base-Backbone interact. energy: -0.532
local terms energy: -49.900305
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: 1.928
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: 187
Temperature: 0.900000
Total energy: -191.130469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130469 (E_RNA)
where:
Base-Base interactions energy: -113.185
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.021
local terms energy: -77.924788
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -121.664178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.664178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.664178 (E_RNA)
where:
Base-Base interactions energy: -60.392
where: short stacking energy: -44.443
Base-Backbone interact. energy: -0.435
local terms energy: -60.837538
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -172.147504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.147504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.147504 (E_RNA)
where:
Base-Base interactions energy: -103.471
where: short stacking energy: -55.616
Base-Backbone interact. energy: -0.135
local terms energy: -68.541713
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -10.601
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -158.509373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.509373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.509373 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -44.793
Base-Backbone interact. energy: -0.142
local terms energy: -57.229119
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -121.962639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.962639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.962639 (E_RNA)
where:
Base-Base interactions energy: -58.921
where: short stacking energy: -44.500
Base-Backbone interact. energy: -0.000
local terms energy: -63.041626
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -83.563626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563626 (E_RNA)
where:
Base-Base interactions energy: -25.205
where: short stacking energy: -20.197
Base-Backbone interact. energy: 0.203
local terms energy: -58.561483
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -2.764
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: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -86.943562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943562 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.705
local terms energy: -56.457734
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -6.142
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: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -93.821884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.821884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.821884 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -39.326
Base-Backbone interact. energy: -0.443
local terms energy: -55.748439
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -4.373
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: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -82.948596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.948596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.948596 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -31.254
Base-Backbone interact. energy: 0.023
local terms energy: -46.641617
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -5.021
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: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -70.322462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.322462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.322462 (E_RNA)
where:
Base-Base interactions energy: -17.023
where: short stacking energy: -17.023
Base-Backbone interact. energy: -0.224
local terms energy: -53.075721
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.384
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: 188
Temperature: 0.900000
Total energy: -190.261836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.261836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.261836 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -64.210
Base-Backbone interact. energy: -1.146
local terms energy: -72.921270
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -145.959579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.959579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.959579 (E_RNA)
where:
Base-Base interactions energy: -83.382
where: short stacking energy: -49.762
Base-Backbone interact. energy: 0.224
local terms energy: -62.801616
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -165.086478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.086478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.086478 (E_RNA)
where:
Base-Base interactions energy: -104.470
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.098
local terms energy: -60.518337
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -12.159
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: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -167.829241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.829241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.829241 (E_RNA)
where:
Base-Base interactions energy: -106.278
where: short stacking energy: -41.543
Base-Backbone interact. energy: -0.092
local terms energy: -61.458680
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -101.242760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.242760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.242760 (E_RNA)
where:
Base-Base interactions energy: -38.891
where: short stacking energy: -36.274
Base-Backbone interact. energy: 0.325
local terms energy: -62.677198
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -97.569994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.569994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.569994 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.919
local terms energy: -58.067350
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -85.094786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.094786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.094786 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.359
local terms energy: -47.544676
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -5.316
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -84.564344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564344 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.297
local terms energy: -51.515818
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -83.864559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.864559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.864559 (E_RNA)
where:
Base-Base interactions energy: -31.268
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.103
local terms energy: -52.493373
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.196500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.196500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.196500 (E_RNA)
where:
Base-Base interactions energy: -30.093
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.082
local terms energy: -47.021262
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -8.346
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: 189
Temperature: 0.900000
Total energy: -182.618622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.618622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.618622 (E_RNA)
where:
Base-Base interactions energy: -105.584
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.292
local terms energy: -76.742647
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -18.036
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: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -172.923869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.923869 (E_RNA)
where:
Base-Base interactions energy: -102.988
where: short stacking energy: -54.695
Base-Backbone interact. energy: -0.478
local terms energy: -69.457851
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.305
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: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -168.238036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.238036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.238036 (E_RNA)
where:
Base-Base interactions energy: -99.018
where: short stacking energy: -45.953
Base-Backbone interact. energy: -0.538
local terms energy: -68.682623
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -11.226
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: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -128.044143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.044143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.044143 (E_RNA)
where:
Base-Base interactions energy: -71.267
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.077
local terms energy: -56.700455
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -97.909805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.909805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.909805 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.188
local terms energy: -56.156560
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -103.716603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.716603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.716603 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.053
local terms energy: -61.593900
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -91.845205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.845205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.845205 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.006
local terms energy: -53.251019
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -7.014
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -89.362192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.362192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.362192 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -37.613
Base-Backbone interact. energy: -0.836
local terms energy: -50.913732
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -83.781141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.781141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.781141 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.415
local terms energy: -46.040602
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: 5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -76.454156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.454156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.454156 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -25.820
Base-Backbone interact. energy: 0.660
local terms energy: -38.545789
where:
bonds (distance) C4'-P energy: -5.482
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -10.679
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: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -193.773929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.773929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773929 (E_RNA)
where:
Base-Base interactions energy: -117.069
where: short stacking energy: -66.798
Base-Backbone interact. energy: -0.162
local terms energy: -76.542923
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -182.277518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.277518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.277518 (E_RNA)
where:
Base-Base interactions energy: -109.681
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.100
local terms energy: -72.496099
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -175.245337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.245337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.245337 (E_RNA)
where:
Base-Base interactions energy: -100.120
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.568
local terms energy: -74.557226
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -115.790828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.790828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.790828 (E_RNA)
where:
Base-Base interactions energy: -53.308
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.470
local terms energy: -62.012532
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -113.381203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.381203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.381203 (E_RNA)
where:
Base-Base interactions energy: -49.169
where: short stacking energy: -31.734
Base-Backbone interact. energy: 1.478
local terms energy: -65.690069
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -7.718
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: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -94.252929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252929 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.096
local terms energy: -53.491684
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -85.299285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299285 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -22.691
Base-Backbone interact. energy: -0.189
local terms energy: -46.303928
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -80.244761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.244761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.244761 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.198
local terms energy: -53.802414
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -84.674358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.674358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.674358 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.189
local terms energy: -45.738136
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -71.943173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.943173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.943173 (E_RNA)
where:
Base-Base interactions energy: -19.615
where: short stacking energy: -17.317
Base-Backbone interact. energy: -0.908
local terms energy: -51.420178
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.147
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: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -197.855011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.855011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.855011 (E_RNA)
where:
Base-Base interactions energy: -121.795
where: short stacking energy: -71.991
Base-Backbone interact. energy: -0.035
local terms energy: -76.024958
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -190.424606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.424606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.424606 (E_RNA)
where:
Base-Base interactions energy: -112.038
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.089
local terms energy: -78.297481
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -186.091657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.091657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.091657 (E_RNA)
where:
Base-Base interactions energy: -111.076
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.034
local terms energy: -74.981685
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -112.760656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.760656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.760656 (E_RNA)
where:
Base-Base interactions energy: -50.926
where: short stacking energy: -39.138
Base-Backbone interact. energy: -0.107
local terms energy: -61.727551
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -119.288927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.288927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.288927 (E_RNA)
where:
Base-Base interactions energy: -68.265
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.193
local terms energy: -50.831656
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -7.467
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -93.830683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.830683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.830683 (E_RNA)
where:
Base-Base interactions energy: -37.137
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.122
local terms energy: -56.571287
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -110.211286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.211286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.211286 (E_RNA)
where:
Base-Base interactions energy: -49.961
where: short stacking energy: -38.050
Base-Backbone interact. energy: -0.095
local terms energy: -60.155087
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -93.145875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145875 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -34.069
Base-Backbone interact. energy: -0.025
local terms energy: -59.051936
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -83.079939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079939 (E_RNA)
where:
Base-Base interactions energy: -28.149
where: short stacking energy: -26.883
Base-Backbone interact. energy: -0.052
local terms energy: -54.878562
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -6.734
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: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -69.946827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.946827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.946827 (E_RNA)
where:
Base-Base interactions energy: -26.397
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.432
local terms energy: -43.118118
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: 1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -189.581981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.581981 (E_RNA)
where:
Base-Base interactions energy: -112.860
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.033
local terms energy: -76.688755
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -195.594305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.594305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594305 (E_RNA)
where:
Base-Base interactions energy: -114.384
where: short stacking energy: -75.234
Base-Backbone interact. energy: -0.119
local terms energy: -81.091217
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -175.583572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.583572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.583572 (E_RNA)
where:
Base-Base interactions energy: -102.282
where: short stacking energy: -61.220
Base-Backbone interact. energy: 0.404
local terms energy: -73.706125
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -18.843
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: 192
Temperature: 1.050000
Total energy: -111.951644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.951644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.951644 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.127
local terms energy: -69.965405
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -95.427015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427015 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.120
local terms energy: -61.560904
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -90.639816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639816 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -20.356
Base-Backbone interact. energy: -0.157
local terms energy: -50.953527
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -99.539410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.539410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.539410 (E_RNA)
where:
Base-Base interactions energy: -46.259
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.043
local terms energy: -53.236872
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -6.761
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: 192
Temperature: 1.250000
Total energy: -81.375446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.375446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.375446 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -21.408
Base-Backbone interact. energy: 1.263
local terms energy: -54.400852
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -5.194
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -80.918936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918936 (E_RNA)
where:
Base-Base interactions energy: -35.098
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.225
local terms energy: -45.595450
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -90.038721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038721 (E_RNA)
where:
Base-Base interactions energy: -40.598
where: short stacking energy: -40.598
Base-Backbone interact. energy: 2.149
local terms energy: -51.589937
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -209.470711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.470711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.470711 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.107
local terms energy: -74.978172
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -20.365
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: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -184.639964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639964 (E_RNA)
where:
Base-Base interactions energy: -111.266
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.059
local terms energy: -73.314525
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.423
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: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -189.890967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.890967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.890967 (E_RNA)
where:
Base-Base interactions energy: -111.082
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.023
local terms energy: -78.785817
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -123.589507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.589507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.589507 (E_RNA)
where:
Base-Base interactions energy: -56.758
where: short stacking energy: -40.489
Base-Backbone interact. energy: -0.119
local terms energy: -66.712601
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -106.683876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.683876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.683876 (E_RNA)
where:
Base-Base interactions energy: -48.242
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.123
local terms energy: -58.319168
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -9.067
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: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -92.218423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.218423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.218423 (E_RNA)
where:
Base-Base interactions energy: -45.502
where: short stacking energy: -45.502
Base-Backbone interact. energy: -0.426
local terms energy: -46.289810
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -1.012
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -101.398183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398183 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -34.288
Base-Backbone interact. energy: -1.293
local terms energy: -58.301123
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -97.934702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.934702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.934702 (E_RNA)
where:
Base-Base interactions energy: -43.804
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.133
local terms energy: -53.998231
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -77.488608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.488608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.488608 (E_RNA)
where:
Base-Base interactions energy: -35.991
where: short stacking energy: -32.422
Base-Backbone interact. energy: -0.464
local terms energy: -41.033026
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.549372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549372 (E_RNA)
where:
Base-Base interactions energy: -21.778
where: short stacking energy: -21.778
Base-Backbone interact. energy: -0.122
local terms energy: -58.648663
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.552
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: 194
Temperature: 0.900000
Total energy: -207.801232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.801232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.801232 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -66.272
Base-Backbone interact. energy: -0.472
local terms energy: -69.696554
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -176.087410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.087410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.087410 (E_RNA)
where:
Base-Base interactions energy: -107.912
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.125
local terms energy: -68.050366
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -196.120080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.120080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.120080 (E_RNA)
where:
Base-Base interactions energy: -121.484
where: short stacking energy: -71.432
Base-Backbone interact. energy: -0.002
local terms energy: -74.634263
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -139.433066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.433066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.433066 (E_RNA)
where:
Base-Base interactions energy: -84.894
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.262
local terms energy: -54.277775
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.591
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -112.134804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.134804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.134804 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -44.592
Base-Backbone interact. energy: 0.221
local terms energy: -66.848307
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -86.264710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264710 (E_RNA)
where:
Base-Base interactions energy: -34.251
where: short stacking energy: -29.007
Base-Backbone interact. energy: -0.311
local terms energy: -51.702467
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -9.793
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: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.892449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892449 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -30.331
Base-Backbone interact. energy: -0.105
local terms energy: -53.722239
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -95.570213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.570213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.570213 (E_RNA)
where:
Base-Base interactions energy: -51.436
where: short stacking energy: -34.914
Base-Backbone interact. energy: -0.284
local terms energy: -43.850553
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -93.285803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.285803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.285803 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.481
local terms energy: -53.456467
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -7.876
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: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -94.268574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.268574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.268574 (E_RNA)
where:
Base-Base interactions energy: -53.050
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.048
local terms energy: -41.170704
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -8.925
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -203.726234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726234 (E_RNA)
where:
Base-Base interactions energy: -122.364
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.612
local terms energy: -80.750287
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -196.781064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781064 (E_RNA)
where:
Base-Base interactions energy: -117.799
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.014
local terms energy: -78.967343
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -19.304
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -169.837095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.837095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.837095 (E_RNA)
where:
Base-Base interactions energy: -106.573
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.135
local terms energy: -63.129238
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -134.286657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.286657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.286657 (E_RNA)
where:
Base-Base interactions energy: -72.312
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.147
local terms energy: -61.827354
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -7.311
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -104.625434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.625434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.625434 (E_RNA)
where:
Base-Base interactions energy: -44.395
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.174
local terms energy: -60.056463
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -97.388372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.388372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.388372 (E_RNA)
where:
Base-Base interactions energy: -42.442
where: short stacking energy: -42.442
Base-Backbone interact. energy: -0.051
local terms energy: -54.895064
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -3.950
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: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -84.259893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.259893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.259893 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.097
local terms energy: -58.999318
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -0.976
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: 195
Temperature: 1.250000
Total energy: -87.278368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278368 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -39.347
Base-Backbone interact. energy: 0.067
local terms energy: -47.920846
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -6.270
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -75.924458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.924458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.924458 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -31.135
Base-Backbone interact. energy: -0.122
local terms energy: -44.667902
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -86.386744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386744 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -33.506
Base-Backbone interact. energy: -0.147
local terms energy: -48.498210
where:
bonds (distance) C4'-P energy: -6.479
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -10.728
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: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -200.915574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.915574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.915574 (E_RNA)
where:
Base-Base interactions energy: -120.076
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.003
local terms energy: -80.836787
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -194.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.022911 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.020
local terms energy: -72.424336
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.760
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -169.033313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.033313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.033313 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.303
local terms energy: -69.529963
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -153.328786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.328786 (E_RNA)
where:
Base-Base interactions energy: -87.828
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.025
local terms energy: -65.475736
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -17.375
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: 196
Temperature: 1.100000
Total energy: -112.057126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.057126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.057126 (E_RNA)
where:
Base-Base interactions energy: -49.203
where: short stacking energy: -42.126
Base-Backbone interact. energy: -0.042
local terms energy: -62.812423
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -111.340100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.340100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.340100 (E_RNA)
where:
Base-Base interactions energy: -51.369
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.584
local terms energy: -59.387639
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -93.585130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585130 (E_RNA)
where:
Base-Base interactions energy: -39.632
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.120
local terms energy: -53.833479
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -13.552
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: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -91.051378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051378 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -31.285
Base-Backbone interact. energy: 0.809
local terms energy: -55.832304
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.607476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.607476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.607476 (E_RNA)
where:
Base-Base interactions energy: -28.538
where: short stacking energy: -28.369
Base-Backbone interact. energy: -0.193
local terms energy: -55.877061
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -73.263604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.263604 (E_RNA)
where:
Base-Base interactions energy: -27.439
where: short stacking energy: -13.287
Base-Backbone interact. energy: -0.662
local terms energy: -45.162290
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: 3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -208.480980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.480980 (E_RNA)
where:
Base-Base interactions energy: -126.573
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.000
local terms energy: -81.907563
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -198.511531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.511531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.511531 (E_RNA)
where:
Base-Base interactions energy: -123.344
where: short stacking energy: -69.792
Base-Backbone interact. energy: -0.009
local terms energy: -75.158113
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -17.937
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -157.576165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.576165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.576165 (E_RNA)
where:
Base-Base interactions energy: -99.454
where: short stacking energy: -43.833
Base-Backbone interact. energy: -0.316
local terms energy: -57.806870
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -121.851355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.851355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.851355 (E_RNA)
where:
Base-Base interactions energy: -67.473
where: short stacking energy: -47.421
Base-Backbone interact. energy: -0.191
local terms energy: -54.187931
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -95.772158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.772158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.772158 (E_RNA)
where:
Base-Base interactions energy: -42.995
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.278
local terms energy: -52.498554
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -7.381
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: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -104.958934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.958934 (E_RNA)
where:
Base-Base interactions energy: -52.260
where: short stacking energy: -24.697
Base-Backbone interact. energy: -0.847
local terms energy: -51.851987
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -1.732
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: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -97.278030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.278030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.278030 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -35.015
Base-Backbone interact. energy: -1.236
local terms energy: -54.548482
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -9.977
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: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -82.556409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.556409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.556409 (E_RNA)
where:
Base-Base interactions energy: -31.840
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.204
local terms energy: -50.512892
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -2.104
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -84.430644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430644 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -28.886
Base-Backbone interact. energy: 0.902
local terms energy: -48.250618
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -7.047
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: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -74.351559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.351559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.351559 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -25.519
Base-Backbone interact. energy: -0.147
local terms energy: -41.580914
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -0.977
tors. eta vs tors. theta energy: -2.892
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -204.934113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934113 (E_RNA)
where:
Base-Base interactions energy: -123.108
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.001
local terms energy: -81.825653
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -21.404
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: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -186.660122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.660122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.660122 (E_RNA)
where:
Base-Base interactions energy: -111.214
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.001
local terms energy: -75.445094
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -16.910
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: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -150.252953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.252953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.252953 (E_RNA)
where:
Base-Base interactions energy: -85.181
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.098
local terms energy: -64.974301
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -101.135644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.135644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.135644 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.055
local terms energy: -59.346210
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -4.376
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -99.822210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.822210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.822210 (E_RNA)
where:
Base-Base interactions energy: -41.428
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.153
local terms energy: -58.240899
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -4.787
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: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -89.717360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.717360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.717360 (E_RNA)
where:
Base-Base interactions energy: -38.350
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.101
local terms energy: -51.265935
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -90.669837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.669837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.669837 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.029
local terms energy: -50.592724
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -78.739758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.739758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.739758 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -14.207
Base-Backbone interact. energy: -0.711
local terms energy: -45.758096
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -81.483891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.483891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.483891 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -25.800
Base-Backbone interact. energy: -0.178
local terms energy: -42.205391
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -85.361603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.361603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.361603 (E_RNA)
where:
Base-Base interactions energy: -39.369
where: short stacking energy: -31.747
Base-Backbone interact. energy: -0.776
local terms energy: -45.216428
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -7.320
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.582
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: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -201.227023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.227023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.227023 (E_RNA)
where:
Base-Base interactions energy: -121.605
where: short stacking energy: -73.965
Base-Backbone interact. energy: -0.390
local terms energy: -79.232999
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -189.635544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.635544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.635544 (E_RNA)
where:
Base-Base interactions energy: -119.578
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.060
local terms energy: -69.998031
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -166.010390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.010390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.010390 (E_RNA)
where:
Base-Base interactions energy: -103.332
where: short stacking energy: -39.490
Base-Backbone interact. energy: 0.042
local terms energy: -62.720663
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -110.106205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.106205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.106205 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.092
local terms energy: -63.625051
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -9.289
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: 199
Temperature: 1.100000
Total energy: -109.805004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.805004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.805004 (E_RNA)
where:
Base-Base interactions energy: -50.362
where: short stacking energy: -45.368
Base-Backbone interact. energy: -0.101
local terms energy: -59.341794
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -102.493907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.493907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.493907 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.075
local terms energy: -62.088894
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -7.480
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -92.056497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.056497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.056497 (E_RNA)
where:
Base-Base interactions energy: -38.054
where: short stacking energy: -32.758
Base-Backbone interact. energy: -0.206
local terms energy: -53.796440
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -85.006444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.006444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.006444 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -35.757
Base-Backbone interact. energy: 2.185
local terms energy: -45.703567
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.417
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: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -77.846240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.846240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.846240 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -29.853
Base-Backbone interact. energy: -0.129
local terms energy: -39.282934
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -79.778401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778401 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -21.981
Base-Backbone interact. energy: 0.672
local terms energy: -47.316750
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -5.928
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -202.343406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.343406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.343406 (E_RNA)
where:
Base-Base interactions energy: -128.386
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.052
local terms energy: -73.905812
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.049
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: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -190.853540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.853540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.853540 (E_RNA)
where:
Base-Base interactions energy: -115.184
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.114
local terms energy: -75.555188
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -169.329044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.329044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.329044 (E_RNA)
where:
Base-Base interactions energy: -106.692
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.096
local terms energy: -62.540854
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -16.512
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: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -116.224820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.224820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.224820 (E_RNA)
where:
Base-Base interactions energy: -54.007
where: short stacking energy: -43.404
Base-Backbone interact. energy: 0.039
local terms energy: -62.256090
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -119.621627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.621627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.621627 (E_RNA)
where:
Base-Base interactions energy: -57.223
where: short stacking energy: -49.497
Base-Backbone interact. energy: -0.014
local terms energy: -62.384038
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -92.919332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919332 (E_RNA)
where:
Base-Base interactions energy: -36.325
where: short stacking energy: -32.190
Base-Backbone interact. energy: 0.203
local terms energy: -56.798224
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -95.181686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181686 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.061
local terms energy: -58.682871
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -80.068502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.068502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.068502 (E_RNA)
where:
Base-Base interactions energy: -30.775
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.021
local terms energy: -49.272642
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -2.746
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: 200
Temperature: 1.300000
Total energy: -84.499779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499779 (E_RNA)
where:
Base-Base interactions energy: -42.340
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.578
local terms energy: -41.581664
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -1.478
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.275805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.275805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.275805 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.842
local terms energy: -47.702916
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -10.527
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: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -203.231225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.231225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.231225 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.419
local terms energy: -76.798773
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -196.316039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.316039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.316039 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.072
local terms energy: -74.063618
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -22.571
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: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -162.992041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.992041 (E_RNA)
where:
Base-Base interactions energy: -94.751
where: short stacking energy: -42.490
Base-Backbone interact. energy: 0.733
local terms energy: -68.974684
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.544
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: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -113.477680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.477680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.477680 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.092
local terms energy: -65.105402
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -8.381
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: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -122.208805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.208805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.208805 (E_RNA)
where:
Base-Base interactions energy: -51.329
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.010
local terms energy: -70.870012
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -12.986
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -104.040414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040414 (E_RNA)
where:
Base-Base interactions energy: -49.254
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.359
local terms energy: -54.427247
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -82.108340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.108340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.108340 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.263
local terms energy: -48.616589
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.919
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -95.242188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242188 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.005
local terms energy: -52.622845
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -86.599868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.599868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.599868 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.161
local terms energy: -45.936979
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: 0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -89.594384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594384 (E_RNA)
where:
Base-Base interactions energy: -40.651
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.147
local terms energy: -48.796014
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -5.990
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: 202
Temperature: 0.900000
Total energy: -201.394851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394851 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.030
local terms energy: -76.079520
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -175.367145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.367145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.367145 (E_RNA)
where:
Base-Base interactions energy: -99.868
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.359
local terms energy: -75.140384
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -18.015
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: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -158.441083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.441083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.441083 (E_RNA)
where:
Base-Base interactions energy: -98.207
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.028
local terms energy: -60.205341
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -106.181467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.181467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.181467 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -41.061
Base-Backbone interact. energy: -0.180
local terms energy: -52.936556
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -96.384185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.384185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.384185 (E_RNA)
where:
Base-Base interactions energy: -42.419
where: short stacking energy: -37.509
Base-Backbone interact. energy: -0.337
local terms energy: -53.628285
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -93.817440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.817440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.817440 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.469
local terms energy: -49.592444
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -93.266811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.266811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.266811 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -29.448
Base-Backbone interact. energy: -0.270
local terms energy: -49.260112
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -91.222648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.222648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.222648 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -34.533
Base-Backbone interact. energy: -0.014
local terms energy: -52.609187
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -87.467612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467612 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -41.889
Base-Backbone interact. energy: 0.280
local terms energy: -45.294423
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -68.777293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.777293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.777293 (E_RNA)
where:
Base-Base interactions energy: -22.966
where: short stacking energy: -19.793
Base-Backbone interact. energy: -0.107
local terms energy: -45.703695
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -191.654964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.654964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.654964 (E_RNA)
where:
Base-Base interactions energy: -116.497
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.019
local terms energy: -75.138978
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -200.347385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.347385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.347385 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.746
local terms energy: -72.886324
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -11.213
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: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -158.505877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.505877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.505877 (E_RNA)
where:
Base-Base interactions energy: -105.378
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.279
local terms energy: -52.848545
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -4.745
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: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -116.716735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.716735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.716735 (E_RNA)
where:
Base-Base interactions energy: -56.185
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.101
local terms energy: -60.430743
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -96.260579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.260579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.260579 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -33.994
Base-Backbone interact. energy: 0.201
local terms energy: -50.637084
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -106.251443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.251443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.251443 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -33.843
Base-Backbone interact. energy: 0.497
local terms energy: -61.439149
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -80.152783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.152783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.152783 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -27.822
Base-Backbone interact. energy: -0.751
local terms energy: -51.060995
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -92.385282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385282 (E_RNA)
where:
Base-Base interactions energy: -46.151
where: short stacking energy: -26.831
Base-Backbone interact. energy: -1.311
local terms energy: -44.923344
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -78.152502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.152502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.152502 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -26.108
Base-Backbone interact. energy: -0.296
local terms energy: -40.871310
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -0.133
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: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -85.614360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614360 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.178
local terms energy: -54.746196
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -204.105439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.105439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.105439 (E_RNA)
where:
Base-Base interactions energy: -130.821
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.117
local terms energy: -73.166786
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -16.689
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: 204
Temperature: 0.950000
Total energy: -195.056838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.056838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.056838 (E_RNA)
where:
Base-Base interactions energy: -117.074
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.744
local terms energy: -77.238930
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -155.718698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.718698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.718698 (E_RNA)
where:
Base-Base interactions energy: -92.021
where: short stacking energy: -34.764
Base-Backbone interact. energy: -0.955
local terms energy: -62.743300
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -102.783646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.783646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.783646 (E_RNA)
where:
Base-Base interactions energy: -50.075
where: short stacking energy: -41.288
Base-Backbone interact. energy: -0.170
local terms energy: -52.538199
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -5.076
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: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -113.260340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.260340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.260340 (E_RNA)
where:
Base-Base interactions energy: -45.485
where: short stacking energy: -45.485
Base-Backbone interact. energy: -0.363
local terms energy: -67.411819
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -101.472406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.472406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.472406 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.031
local terms energy: -59.205930
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -103.625641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.625641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.625641 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.171
local terms energy: -60.310499
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -8.431
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: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -79.376343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376343 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.377
local terms energy: -48.163995
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: 3.918
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: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -86.856588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856588 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -35.794
Base-Backbone interact. energy: -0.106
local terms energy: -51.947033
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -4.053
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: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -76.471148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.471148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.471148 (E_RNA)
where:
Base-Base interactions energy: -27.839
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.026
local terms energy: -48.605460
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -193.788847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.788847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788847 (E_RNA)
where:
Base-Base interactions energy: -116.153
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.005
local terms energy: -77.631179
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -197.096396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.096396 (E_RNA)
where:
Base-Base interactions energy: -121.225
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.025
local terms energy: -75.846371
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -161.327435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.327435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327435 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.218
local terms energy: -55.733188
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -108.960133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.960133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.960133 (E_RNA)
where:
Base-Base interactions energy: -52.851
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.182
local terms energy: -55.927069
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -104.525882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.525882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.525882 (E_RNA)
where:
Base-Base interactions energy: -44.537
where: short stacking energy: -34.704
Base-Backbone interact. energy: -0.142
local terms energy: -59.847147
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -94.539107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.539107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.539107 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -37.775
Base-Backbone interact. energy: -0.089
local terms energy: -55.013086
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -5.237
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: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -87.792202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792202 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.854
local terms energy: -46.040280
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 0.970
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -90.759041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759041 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -36.847
Base-Backbone interact. energy: 0.174
local terms energy: -54.085536
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -8.802
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: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -77.840215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.840215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.840215 (E_RNA)
where:
Base-Base interactions energy: -31.797
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.228
local terms energy: -45.815411
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -68.739283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.739283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.739283 (E_RNA)
where:
Base-Base interactions energy: -25.961
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.188
local terms energy: -42.589738
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -192.310904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.310904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.310904 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.006
local terms energy: -76.116890
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -18.903
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: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -190.182993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.182993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.182993 (E_RNA)
where:
Base-Base interactions energy: -117.337
where: short stacking energy: -71.758
Base-Backbone interact. energy: -0.043
local terms energy: -72.802871
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -166.285002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.285002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.285002 (E_RNA)
where:
Base-Base interactions energy: -105.302
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.061
local terms energy: -60.922149
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.773
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: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -113.640663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.640663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.640663 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.213
local terms energy: -63.758332
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -10.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -99.729504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729504 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.175
local terms energy: -61.851453
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -95.442124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.442124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.442124 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -41.223
Base-Backbone interact. energy: -0.454
local terms energy: -52.000933
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -106.051418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.051418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.051418 (E_RNA)
where:
Base-Base interactions energy: -47.879
where: short stacking energy: -45.233
Base-Backbone interact. energy: -0.685
local terms energy: -57.487907
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -5.672
flat angles P-C4'-P energy: -10.172
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -87.981005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.981005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.981005 (E_RNA)
where:
Base-Base interactions energy: -44.891
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.007
local terms energy: -43.083236
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -2.822
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: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -83.926268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.926268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.926268 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -21.469
Base-Backbone interact. energy: -0.678
local terms energy: -50.564312
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -68.833062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.833062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.833062 (E_RNA)
where:
Base-Base interactions energy: -22.768
where: short stacking energy: -19.908
Base-Backbone interact. energy: -0.183
local terms energy: -45.882322
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -1.573
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: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -201.018194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.018194 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.002
local terms energy: -80.196370
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.439
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: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -187.370765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.370765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.370765 (E_RNA)
where:
Base-Base interactions energy: -112.317
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.000
local terms energy: -75.053491
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -160.856445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.856445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.856445 (E_RNA)
where:
Base-Base interactions energy: -99.158
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.107
local terms energy: -61.591550
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -92.497871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.497871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.497871 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -36.542
Base-Backbone interact. energy: 1.284
local terms energy: -54.818199
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -98.288321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.288321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.288321 (E_RNA)
where:
Base-Base interactions energy: -36.699
where: short stacking energy: -33.077
Base-Backbone interact. energy: 2.072
local terms energy: -63.661143
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -97.982035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.982035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.982035 (E_RNA)
where:
Base-Base interactions energy: -43.944
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.037
local terms energy: -54.001332
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -80.942724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.942724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.942724 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -29.543
Base-Backbone interact. energy: -0.146
local terms energy: -47.747973
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -4.880
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: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -91.478068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478068 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.110
local terms energy: -55.941729
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -78.280743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280743 (E_RNA)
where:
Base-Base interactions energy: -22.956
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.102
local terms energy: -55.222640
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -67.786138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.786138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.786138 (E_RNA)
where:
Base-Base interactions energy: -23.813
where: short stacking energy: -18.701
Base-Backbone interact. energy: 1.851
local terms energy: -45.824399
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -201.912358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.912358 (E_RNA)
where:
Base-Base interactions energy: -119.169
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.023
local terms energy: -82.720819
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.903
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -190.623615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.623615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.623615 (E_RNA)
where:
Base-Base interactions energy: -114.288
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.001
local terms energy: -76.334041
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -20.574
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: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -178.623318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.623318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.623318 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -55.280
Base-Backbone interact. energy: -0.389
local terms energy: -63.723057
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -138.510280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.510280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.510280 (E_RNA)
where:
Base-Base interactions energy: -70.743
where: short stacking energy: -57.494
Base-Backbone interact. energy: -0.011
local terms energy: -67.755735
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -108.933104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.933104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.933104 (E_RNA)
where:
Base-Base interactions energy: -51.359
where: short stacking energy: -48.116
Base-Backbone interact. energy: 0.586
local terms energy: -58.159665
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.495
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -94.621971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.621971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.621971 (E_RNA)
where:
Base-Base interactions energy: -50.246
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.185
local terms energy: -44.191175
where:
bonds (distance) C4'-P energy: -5.757
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -114.631790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.631790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.631790 (E_RNA)
where:
Base-Base interactions energy: -54.737
where: short stacking energy: -42.394
Base-Backbone interact. energy: -1.163
local terms energy: -58.731392
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -82.692373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692373 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.082
local terms energy: -50.181545
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -70.054512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.054512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.054512 (E_RNA)
where:
Base-Base interactions energy: -31.246
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.234
local terms energy: -38.575007
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -77.916033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.916033 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.104
local terms energy: -44.541973
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.159
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: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -206.813601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.813601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813601 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.648
local terms energy: -81.400901
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -200.132200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.132200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.132200 (E_RNA)
where:
Base-Base interactions energy: -122.923
where: short stacking energy: -73.287
Base-Backbone interact. energy: 0.837
local terms energy: -78.046224
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -181.780215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.780215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.780215 (E_RNA)
where:
Base-Base interactions energy: -106.636
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.341
local terms energy: -74.803772
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -115.474060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.474060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.474060 (E_RNA)
where:
Base-Base interactions energy: -46.103
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.000
local terms energy: -69.371008
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -106.035110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.035110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.035110 (E_RNA)
where:
Base-Base interactions energy: -45.696
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.196
local terms energy: -60.143046
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -103.735495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735495 (E_RNA)
where:
Base-Base interactions energy: -49.152
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.141
local terms energy: -54.442864
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -88.483749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.483749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.483749 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -34.730
Base-Backbone interact. energy: -0.930
local terms energy: -52.823511
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -75.920229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.920229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.920229 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -18.445
Base-Backbone interact. energy: -0.433
local terms energy: -41.537165
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -6.715
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -11.740
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -97.483156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.483156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.483156 (E_RNA)
where:
Base-Base interactions energy: -44.247
where: short stacking energy: -24.104
Base-Backbone interact. energy: -1.341
local terms energy: -51.895938
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -7.346
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: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -75.106474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.106474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.106474 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.006
local terms energy: -46.985563
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -201.920320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.920320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.920320 (E_RNA)
where:
Base-Base interactions energy: -123.683
where: short stacking energy: -74.403
Base-Backbone interact. energy: 1.671
local terms energy: -79.908987
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -205.638755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.638755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.638755 (E_RNA)
where:
Base-Base interactions energy: -124.690
where: short stacking energy: -73.052
Base-Backbone interact. energy: -2.189
local terms energy: -78.760021
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -171.065283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.065283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.065283 (E_RNA)
where:
Base-Base interactions energy: -109.104
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.200
local terms energy: -61.761535
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -109.002755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.002755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.002755 (E_RNA)
where:
Base-Base interactions energy: -53.974
where: short stacking energy: -44.593
Base-Backbone interact. energy: -0.095
local terms energy: -54.932887
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -4.748
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: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -114.527293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.527293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.527293 (E_RNA)
where:
Base-Base interactions energy: -55.931
where: short stacking energy: -45.731
Base-Backbone interact. energy: -0.030
local terms energy: -58.566573
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -10.949
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -83.498018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498018 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.323
local terms energy: -39.669857
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: 1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -96.577202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.577202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.577202 (E_RNA)
where:
Base-Base interactions energy: -46.969
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.914
local terms energy: -48.694896
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -2.611
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: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -87.330119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.330119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.330119 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -27.989
Base-Backbone interact. energy: -1.639
local terms energy: -51.341615
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -5.698
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: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.524631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.524631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.524631 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.162
local terms energy: -46.734381
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -82.275612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.275612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.275612 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.507
local terms energy: -47.688080
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -199.910721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.910721 (E_RNA)
where:
Base-Base interactions energy: -115.513
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.013
local terms energy: -84.385109
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -194.276713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.276713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.276713 (E_RNA)
where:
Base-Base interactions energy: -118.389
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.532
local terms energy: -75.355474
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -10.008
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: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -187.361280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.361280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.361280 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.045
local terms energy: -65.802886
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -118.251467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.251467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.251467 (E_RNA)
where:
Base-Base interactions energy: -53.157
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.549
local terms energy: -64.545461
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -120.161225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.161225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.161225 (E_RNA)
where:
Base-Base interactions energy: -57.019
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.106
local terms energy: -63.035779
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.917
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: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -108.803784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.803784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.803784 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.364
local terms energy: -64.203716
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -97.270441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.270441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.270441 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.611
local terms energy: -56.240274
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -4.017
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -96.536836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.536836 (E_RNA)
where:
Base-Base interactions energy: -51.728
where: short stacking energy: -30.582
Base-Backbone interact. energy: -1.470
local terms energy: -43.339413
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: 0.729
tors. eta vs tors. theta energy: -9.862
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: 211
Temperature: 1.300000
Total energy: -86.553653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.553653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.553653 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.467
local terms energy: -44.431258
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -0.239
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -86.795344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.795344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.795344 (E_RNA)
where:
Base-Base interactions energy: -40.822
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.056
local terms energy: -45.917264
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.645
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: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -199.735129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.735129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.735129 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.033
local terms energy: -80.758151
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -11.555
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -191.011650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.011650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.011650 (E_RNA)
where:
Base-Base interactions energy: -112.602
where: short stacking energy: -64.088
Base-Backbone interact. energy: -1.556
local terms energy: -76.853555
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -12.557
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: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -175.920602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920602 (E_RNA)
where:
Base-Base interactions energy: -108.487
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.095
local terms energy: -67.338386
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -139.113203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.113203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.113203 (E_RNA)
where:
Base-Base interactions energy: -71.191
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.869
local terms energy: -67.053118
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -6.275
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -121.778228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.778228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.778228 (E_RNA)
where:
Base-Base interactions energy: -63.410
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.030
local terms energy: -58.338756
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -10.695
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: 212
Temperature: 1.150000
Total energy: -95.073368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.073368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.073368 (E_RNA)
where:
Base-Base interactions energy: -41.654
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.150
local terms energy: -53.269966
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -12.581
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: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -86.216586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.216586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.216586 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.080
local terms energy: -48.638390
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -1.563
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: 212
Temperature: 1.250000
Total energy: -83.557628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.557628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.557628 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.112
local terms energy: -48.533864
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -5.163
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: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -78.716232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.716232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.716232 (E_RNA)
where:
Base-Base interactions energy: -24.536
where: short stacking energy: -24.536
Base-Backbone interact. energy: -0.442
local terms energy: -53.738503
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -75.393768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.393768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.393768 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -24.730
Base-Backbone interact. energy: -0.176
local terms energy: -47.255044
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -206.263585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.263585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.263585 (E_RNA)
where:
Base-Base interactions energy: -126.051
where: short stacking energy: -77.724
Base-Backbone interact. energy: -0.002
local terms energy: -80.210466
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -197.488574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.488574 (E_RNA)
where:
Base-Base interactions energy: -130.719
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.130
local terms energy: -66.639423
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -10.689
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: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -170.873922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.873922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.873922 (E_RNA)
where:
Base-Base interactions energy: -96.019
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.017
local terms energy: -74.837819
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -16.186
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -122.097201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.097201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.097201 (E_RNA)
where:
Base-Base interactions energy: -60.589
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.136
local terms energy: -61.372010
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -11.285
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: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -105.467068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.467068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.467068 (E_RNA)
where:
Base-Base interactions energy: -45.549
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.009
local terms energy: -59.908832
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -8.231
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -91.459126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459126 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.379
local terms energy: -54.732427
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -5.559
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -93.400724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400724 (E_RNA)
where:
Base-Base interactions energy: -45.654
where: short stacking energy: -30.909
Base-Backbone interact. energy: 0.155
local terms energy: -47.901474
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -90.063861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063861 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.162
local terms energy: -53.087660
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -8.674
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: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -85.238959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.238959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.238959 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.094
local terms energy: -47.656020
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -7.721
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: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.763369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.763369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.763369 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.127
local terms energy: -47.802033
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -197.273511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.273511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.273511 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -59.813
Base-Backbone interact. energy: -0.198
local terms energy: -69.820878
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -193.534104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.534104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.534104 (E_RNA)
where:
Base-Base interactions energy: -117.330
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.030
local terms energy: -76.174474
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -21.144
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: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -175.299836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.299836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.299836 (E_RNA)
where:
Base-Base interactions energy: -99.716
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.522
local terms energy: -75.061772
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -111.828539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.828539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.828539 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.001
local terms energy: -64.527406
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -100.215270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.215270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.215270 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.574
local terms energy: -61.154402
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -95.178655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.178655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.178655 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -37.162
Base-Backbone interact. energy: -0.208
local terms energy: -57.498801
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.832
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: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -95.883120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883120 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.511
local terms energy: -49.366146
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -7.760
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -81.085390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085390 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -25.975
Base-Backbone interact. energy: 0.635
local terms energy: -46.564331
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -5.022
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: 214
Temperature: 1.300000
Total energy: -77.954880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.954880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.954880 (E_RNA)
where:
Base-Base interactions energy: -26.446
where: short stacking energy: -21.889
Base-Backbone interact. energy: -0.267
local terms energy: -51.241879
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.578
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -72.877109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.877109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.877109 (E_RNA)
where:
Base-Base interactions energy: -27.097
where: short stacking energy: -22.643
Base-Backbone interact. energy: -0.135
local terms energy: -45.644957
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -6.322
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: 215
Temperature: 0.900000
Total energy: -196.220491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220491 (E_RNA)
where:
Base-Base interactions energy: -123.558
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.323
local terms energy: -72.339253
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -194.507609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.507609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507609 (E_RNA)
where:
Base-Base interactions energy: -120.634
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.411
local terms energy: -73.462528
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -173.764288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.764288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.764288 (E_RNA)
where:
Base-Base interactions energy: -101.350
where: short stacking energy: -54.357
Base-Backbone interact. energy: -0.010
local terms energy: -72.404509
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -133.806751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.806751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.806751 (E_RNA)
where:
Base-Base interactions energy: -66.846
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.035
local terms energy: -66.925659
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -107.024466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.024466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.024466 (E_RNA)
where:
Base-Base interactions energy: -45.359
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.273
local terms energy: -61.392643
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -95.878084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878084 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.077
local terms energy: -53.544404
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -88.926252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.926252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.926252 (E_RNA)
where:
Base-Base interactions energy: -46.565
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.132
local terms energy: -42.229193
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -6.571
flat angles P-C4'-P energy: -6.502
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -83.892702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.892702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.892702 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -27.565
Base-Backbone interact. energy: -0.160
local terms energy: -52.966178
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -87.331178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.331178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.331178 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.046
local terms energy: -54.130762
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -81.726264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.726264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.726264 (E_RNA)
where:
Base-Base interactions energy: -39.890
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.570
local terms energy: -41.265892
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -6.672
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -209.204426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.204426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.204426 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.122
local terms energy: -77.975383
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.953
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -193.954102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.954102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.954102 (E_RNA)
where:
Base-Base interactions energy: -117.553
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.127
local terms energy: -76.273386
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -126.173516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.173516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.173516 (E_RNA)
where:
Base-Base interactions energy: -62.425
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.068
local terms energy: -63.680316
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -10.840
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: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -157.160940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.160940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.160940 (E_RNA)
where:
Base-Base interactions energy: -88.107
where: short stacking energy: -51.692
Base-Backbone interact. energy: -0.003
local terms energy: -69.050830
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -106.125476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125476 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.656
local terms energy: -68.168410
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -101.295351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295351 (E_RNA)
where:
Base-Base interactions energy: -49.846
where: short stacking energy: -33.702
Base-Backbone interact. energy: -0.485
local terms energy: -50.965069
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -88.371698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.371698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.371698 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -36.360
Base-Backbone interact. energy: -0.122
local terms energy: -51.890196
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -91.488105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.488105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.488105 (E_RNA)
where:
Base-Base interactions energy: -38.223
where: short stacking energy: -36.442
Base-Backbone interact. energy: -0.488
local terms energy: -52.777469
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -8.821
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: 216
Temperature: 1.300000
Total energy: -86.544950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.544950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.544950 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.187
local terms energy: -51.415534
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -12.091
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: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -84.466459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.466459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.466459 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -26.982
Base-Backbone interact. energy: -0.242
local terms energy: -55.384847
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -7.756
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: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -209.256129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.256129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.256129 (E_RNA)
where:
Base-Base interactions energy: -131.566
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.578
local terms energy: -77.111846
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -193.327071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.327071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.327071 (E_RNA)
where:
Base-Base interactions energy: -117.397
where: short stacking energy: -69.084
Base-Backbone interact. energy: -0.051
local terms energy: -75.879313
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -134.633791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.633791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.633791 (E_RNA)
where:
Base-Base interactions energy: -77.770
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.043
local terms energy: -56.821306
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -149.235305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.235305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.235305 (E_RNA)
where:
Base-Base interactions energy: -84.452
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.115
local terms energy: -64.668434
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -4.794
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -114.061648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.061648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.061648 (E_RNA)
where:
Base-Base interactions energy: -51.819
where: short stacking energy: -47.834
Base-Backbone interact. energy: -0.065
local terms energy: -62.178078
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -11.171
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: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -89.483543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.483543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.483543 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -17.130
Base-Backbone interact. energy: -0.354
local terms energy: -58.756613
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -104.434416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.434416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.434416 (E_RNA)
where:
Base-Base interactions energy: -45.075
where: short stacking energy: -45.075
Base-Backbone interact. energy: -0.041
local terms energy: -59.318791
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -93.358826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.358826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.358826 (E_RNA)
where:
Base-Base interactions energy: -44.570
where: short stacking energy: -31.185
Base-Backbone interact. energy: -0.340
local terms energy: -48.448754
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -2.605
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: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -81.191977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.191977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.191977 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.406
local terms energy: -52.706129
where:
bonds (distance) C4'-P energy: -6.726
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -86.973076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.973076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.973076 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.618
local terms energy: -50.677108
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -7.111
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -206.245553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.245553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.245553 (E_RNA)
where:
Base-Base interactions energy: -128.007
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.343
local terms energy: -77.895920
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -195.355782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.355782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.355782 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.001
local terms energy: -79.457518
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -156.831338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.831338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.831338 (E_RNA)
where:
Base-Base interactions energy: -93.160
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.103
local terms energy: -63.567679
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -150.066731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.066731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.066731 (E_RNA)
where:
Base-Base interactions energy: -90.665
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.105
local terms energy: -59.296342
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -11.721
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: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -112.769514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.769514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.769514 (E_RNA)
where:
Base-Base interactions energy: -47.910
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.002
local terms energy: -64.857714
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -87.565311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.565311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.565311 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.295
local terms energy: -49.725533
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -8.397
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -94.232929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232929 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -34.774
Base-Backbone interact. energy: 1.835
local terms energy: -61.294036
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -8.338
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: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -79.052207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.052207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.052207 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.139
local terms energy: -47.668235
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -98.233378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.233378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.233378 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.104
local terms energy: -60.108845
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -81.114541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.114541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.114541 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -24.053
Base-Backbone interact. energy: -0.152
local terms energy: -46.142748
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -197.373594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.373594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.373594 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.286
local terms energy: -70.061483
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -188.553603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.553603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.553603 (E_RNA)
where:
Base-Base interactions energy: -112.634
where: short stacking energy: -69.888
Base-Backbone interact. energy: -0.069
local terms energy: -75.850651
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -147.945991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.945991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.945991 (E_RNA)
where:
Base-Base interactions energy: -77.941
where: short stacking energy: -56.844
Base-Backbone interact. energy: 0.063
local terms energy: -70.068424
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -110.538089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.538089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.538089 (E_RNA)
where:
Base-Base interactions energy: -46.160
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.036
local terms energy: -64.341785
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -131.245158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.245158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.245158 (E_RNA)
where:
Base-Base interactions energy: -68.753
where: short stacking energy: -32.340
Base-Backbone interact. energy: -0.147
local terms energy: -62.345144
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -6.385
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: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -99.589950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.589950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.589950 (E_RNA)
where:
Base-Base interactions energy: -35.853
where: short stacking energy: -35.853
Base-Backbone interact. energy: -0.560
local terms energy: -63.176244
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -85.496638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.496638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.496638 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -34.056
Base-Backbone interact. energy: -0.117
local terms energy: -49.735334
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -81.853708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.853708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.853708 (E_RNA)
where:
Base-Base interactions energy: -30.946
where: short stacking energy: -30.946
Base-Backbone interact. energy: -1.113
local terms energy: -49.795000
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -93.215874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.215874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.215874 (E_RNA)
where:
Base-Base interactions energy: -31.930
where: short stacking energy: -30.617
Base-Backbone interact. energy: 0.348
local terms energy: -61.633493
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -75.806077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.806077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.806077 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.308
local terms energy: -48.892203
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -200.217700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.217700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.217700 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.575
local terms energy: -76.337326
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -201.088058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.088058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.088058 (E_RNA)
where:
Base-Base interactions energy: -117.434
where: short stacking energy: -73.381
Base-Backbone interact. energy: -0.027
local terms energy: -83.626948
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -155.978266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.978266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.978266 (E_RNA)
where:
Base-Base interactions energy: -94.181
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.741
local terms energy: -61.056279
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -110.115837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.115837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.115837 (E_RNA)
where:
Base-Base interactions energy: -59.465
where: short stacking energy: -50.737
Base-Backbone interact. energy: 3.112
local terms energy: -53.763132
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -123.304078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.304078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.304078 (E_RNA)
where:
Base-Base interactions energy: -65.665
where: short stacking energy: -32.406
Base-Backbone interact. energy: -1.422
local terms energy: -56.217438
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -101.989027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.989027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.989027 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -34.849
Base-Backbone interact. energy: -0.218
local terms energy: -62.981491
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -91.913884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913884 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.220
local terms energy: -50.645439
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: 2.817
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: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -90.367424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367424 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -21.459
Base-Backbone interact. energy: -0.690
local terms energy: -52.591437
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -2.523
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: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -91.298362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298362 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.005
local terms energy: -53.185017
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -4.651
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -82.711919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711919 (E_RNA)
where:
Base-Base interactions energy: -29.462
where: short stacking energy: -29.462
Base-Backbone interact. energy: 2.977
local terms energy: -56.226914
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -200.993122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.993122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.993122 (E_RNA)
where:
Base-Base interactions energy: -118.916
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.080
local terms energy: -81.997184
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -22.380
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: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -179.526925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.526925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.526925 (E_RNA)
where:
Base-Base interactions energy: -108.412
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.006
local terms energy: -71.108915
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -126.741662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.741662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.741662 (E_RNA)
where:
Base-Base interactions energy: -64.707
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.004
local terms energy: -62.030077
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -106.461157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.461157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.461157 (E_RNA)
where:
Base-Base interactions energy: -45.074
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.086
local terms energy: -61.301448
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -100.239299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.239299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.239299 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -43.009
Base-Backbone interact. energy: -0.154
local terms energy: -57.076061
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.274
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: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -104.761085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.761085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.761085 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.138
local terms energy: -61.254721
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -90.060150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.060150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.060150 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -28.165
Base-Backbone interact. energy: -0.261
local terms energy: -60.530006
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -86.025049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.025049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.025049 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -22.774
Base-Backbone interact. energy: 0.130
local terms energy: -58.321202
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -93.348091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.348091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.348091 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.181
local terms energy: -54.939310
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -71.435167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.435167 (E_RNA)
where:
Base-Base interactions energy: -21.967
where: short stacking energy: -14.857
Base-Backbone interact. energy: 1.205
local terms energy: -50.673421
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -207.017829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017829 (E_RNA)
where:
Base-Base interactions energy: -129.919
where: short stacking energy: -78.371
Base-Backbone interact. energy: -0.083
local terms energy: -77.015800
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -12.799
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: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -172.027257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.027257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.027257 (E_RNA)
where:
Base-Base interactions energy: -103.568
where: short stacking energy: -54.678
Base-Backbone interact. energy: -0.452
local terms energy: -68.006673
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -134.394012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.394012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.394012 (E_RNA)
where:
Base-Base interactions energy: -66.463
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.872
local terms energy: -67.058808
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -120.760842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.760842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.760842 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -37.153
Base-Backbone interact. energy: -0.552
local terms energy: -60.203485
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -7.880
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -101.866550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866550 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.080
local terms energy: -65.004654
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -7.615
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: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -107.553029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553029 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.342
local terms energy: -62.514149
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -10.013
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: 222
Temperature: 1.200000
Total energy: -86.256513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256513 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -32.670
Base-Backbone interact. energy: -0.208
local terms energy: -51.204872
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -84.727113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.727113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.727113 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.170
local terms energy: -50.762298
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -6.399
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: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -83.099986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.099986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.099986 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -28.363
Base-Backbone interact. energy: 2.318
local terms energy: -57.054724
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -80.022298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.022298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.022298 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.015
local terms energy: -54.661919
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -202.404862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.404862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404862 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.156
local terms energy: -73.351096
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -180.701454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.701454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.701454 (E_RNA)
where:
Base-Base interactions energy: -105.401
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.931
local terms energy: -74.369839
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -12.188
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -140.378192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.378192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.378192 (E_RNA)
where:
Base-Base interactions energy: -70.868
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.008
local terms energy: -69.502220
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -123.248561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.248561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.248561 (E_RNA)
where:
Base-Base interactions energy: -65.161
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.090
local terms energy: -57.997295
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -106.471404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.471404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.471404 (E_RNA)
where:
Base-Base interactions energy: -50.123
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.273
local terms energy: -56.075744
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.488
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: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -89.484290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484290 (E_RNA)
where:
Base-Base interactions energy: -43.747
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.113
local terms energy: -45.623763
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -3.994
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: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -84.807773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.807773 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -31.385
Base-Backbone interact. energy: -1.213
local terms energy: -49.391512
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -6.167
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -85.956208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.956208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.956208 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -32.844
Base-Backbone interact. energy: -0.936
local terms energy: -48.229830
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -81.186111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.186111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.186111 (E_RNA)
where:
Base-Base interactions energy: -25.816
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.577
local terms energy: -54.792984
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -2.527
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: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -76.163371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163371 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -23.485
Base-Backbone interact. energy: 0.111
local terms energy: -44.941250
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -199.120971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.120971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.120971 (E_RNA)
where:
Base-Base interactions energy: -118.979
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.076
local terms energy: -80.065695
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -205.240277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240277 (E_RNA)
where:
Base-Base interactions energy: -126.515
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.556
local terms energy: -78.168749
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -156.926447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.926447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.926447 (E_RNA)
where:
Base-Base interactions energy: -82.851
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.003
local terms energy: -74.072445
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -131.676814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.676814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.676814 (E_RNA)
where:
Base-Base interactions energy: -65.365
where: short stacking energy: -44.721
Base-Backbone interact. energy: -0.296
local terms energy: -66.015559
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.765
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -110.062762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.062762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.062762 (E_RNA)
where:
Base-Base interactions energy: -49.459
where: short stacking energy: -39.373
Base-Backbone interact. energy: 0.503
local terms energy: -61.107168
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -87.235240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235240 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.257
local terms energy: -54.022990
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -4.145
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: 224
Temperature: 1.200000
Total energy: -93.604042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.604042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.604042 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.081
local terms energy: -57.075102
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -96.806089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.806089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.806089 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.002
local terms energy: -53.976439
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -72.058288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.058288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.058288 (E_RNA)
where:
Base-Base interactions energy: -24.306
where: short stacking energy: -17.572
Base-Backbone interact. energy: -0.143
local terms energy: -47.608942
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: 1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -79.291130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.291130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.291130 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.055
local terms energy: -49.882325
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.378
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: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -196.048262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048262 (E_RNA)
where:
Base-Base interactions energy: -125.891
where: short stacking energy: -54.705
Base-Backbone interact. energy: -0.181
local terms energy: -69.976163
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.709
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: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -200.627829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.627829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.627829 (E_RNA)
where:
Base-Base interactions energy: -125.741
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.119
local terms energy: -74.768440
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -122.334207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.334207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.334207 (E_RNA)
where:
Base-Base interactions energy: -52.764
where: short stacking energy: -50.756
Base-Backbone interact. energy: -0.008
local terms energy: -69.562033
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -110.455564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.455564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.455564 (E_RNA)
where:
Base-Base interactions energy: -49.419
where: short stacking energy: -49.419
Base-Backbone interact. energy: -0.010
local terms energy: -61.027103
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -9.558
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: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -109.112782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112782 (E_RNA)
where:
Base-Base interactions energy: -48.298
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.115
local terms energy: -60.699672
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -11.621
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: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -83.816665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816665 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.126
local terms energy: -53.560244
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -110.037839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.037839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.037839 (E_RNA)
where:
Base-Base interactions energy: -42.042
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.081
local terms energy: -67.915074
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -82.805842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805842 (E_RNA)
where:
Base-Base interactions energy: -28.361
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.053
local terms energy: -54.392434
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -7.703
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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -86.960175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960175 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.192
local terms energy: -57.482831
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -4.333
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: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -79.070502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.070502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.070502 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.153
local terms energy: -49.019154
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -8.917
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: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -207.705403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.705403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.705403 (E_RNA)
where:
Base-Base interactions energy: -127.076
where: short stacking energy: -64.751
Base-Backbone interact. energy: -1.732
local terms energy: -78.897929
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -19.490
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: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -195.461412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.461412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.461412 (E_RNA)
where:
Base-Base interactions energy: -122.466
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.660
local terms energy: -72.335989
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -118.959311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.959311 (E_RNA)
where:
Base-Base interactions energy: -58.299
where: short stacking energy: -53.750
Base-Backbone interact. energy: -0.054
local terms energy: -60.605695
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -10.418
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: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -112.535675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.535675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.535675 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -46.710
Base-Backbone interact. energy: 0.300
local terms energy: -66.125601
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -116.295240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.295240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.295240 (E_RNA)
where:
Base-Base interactions energy: -52.308
where: short stacking energy: -49.880
Base-Backbone interact. energy: 1.714
local terms energy: -65.701822
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -13.108
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: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -106.908811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.908811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.908811 (E_RNA)
where:
Base-Base interactions energy: -43.558
where: short stacking energy: -41.706
Base-Backbone interact. energy: 0.453
local terms energy: -63.803539
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -9.488
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: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -92.478463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.478463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.478463 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.361
local terms energy: -51.361760
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.277582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277582 (E_RNA)
where:
Base-Base interactions energy: -38.332
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.089
local terms energy: -49.856290
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -7.430
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -9.356
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -86.894094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.894094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.894094 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.285
local terms energy: -56.059848
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.406380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406380 (E_RNA)
where:
Base-Base interactions energy: -22.799
where: short stacking energy: -22.799
Base-Backbone interact. energy: 0.133
local terms energy: -54.740999
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -196.378127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.378127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.378127 (E_RNA)
where:
Base-Base interactions energy: -117.327
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.027
local terms energy: -79.024418
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -20.008
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -191.265570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.265570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.265570 (E_RNA)
where:
Base-Base interactions energy: -119.845
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.070
local terms energy: -71.350786
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -122.579458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.579458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.579458 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.000
local terms energy: -69.411998
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -6.134
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: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -103.327517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.327517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.327517 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.017
local terms energy: -57.557774
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -8.578
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -102.267563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.267563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.267563 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -40.961
Base-Backbone interact. energy: -0.030
local terms energy: -61.276529
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -102.955057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.955057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.955057 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.030
local terms energy: -59.990022
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -89.815420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.815420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.815420 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -30.897
Base-Backbone interact. energy: 0.397
local terms energy: -43.137563
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -1.540
tors. eta vs tors. theta energy: -5.049
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: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -84.787132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787132 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.149
local terms energy: -50.610617
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -8.521
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -83.403439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403439 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.082
local terms energy: -49.447107
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: -9.316
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: 227
Temperature: 1.350000
Total energy: -79.185277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.185277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.185277 (E_RNA)
where:
Base-Base interactions energy: -34.285
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.060
local terms energy: -44.840022
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -191.834327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.834327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.834327 (E_RNA)
where:
Base-Base interactions energy: -115.071
where: short stacking energy: -70.318
Base-Backbone interact. energy: -0.006
local terms energy: -76.757328
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.519
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: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -190.921386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.921386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921386 (E_RNA)
where:
Base-Base interactions energy: -118.948
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.000
local terms energy: -71.972588
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -106.674071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.674071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.674071 (E_RNA)
where:
Base-Base interactions energy: -45.640
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.111
local terms energy: -60.923323
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -9.185
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: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -116.431994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.431994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.431994 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -45.346
Base-Backbone interact. energy: -0.044
local terms energy: -67.965289
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -12.821
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -109.638562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.638562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.638562 (E_RNA)
where:
Base-Base interactions energy: -50.408
where: short stacking energy: -49.431
Base-Backbone interact. energy: -1.092
local terms energy: -58.137863
where:
bonds (distance) C4'-P energy: -5.474
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -108.436213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.436213 (E_RNA)
where:
Base-Base interactions energy: -55.982
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.107
local terms energy: -52.347395
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -87.828639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828639 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.093
local terms energy: -52.781961
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -84.763872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763872 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -29.932
Base-Backbone interact. energy: 0.759
local terms energy: -47.897398
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -85.677239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677239 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -23.225
Base-Backbone interact. energy: -0.221
local terms energy: -47.739306
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -79.685004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685004 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.093
local terms energy: -56.978242
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -11.483
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -192.074851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.074851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.074851 (E_RNA)
where:
Base-Base interactions energy: -118.837
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.340
local terms energy: -72.898133
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -192.397082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.397082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.397082 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -63.881
Base-Backbone interact. energy: -2.587
local terms energy: -73.683267
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -113.187193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.187193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.187193 (E_RNA)
where:
Base-Base interactions energy: -48.472
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.105
local terms energy: -64.610827
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -5.975
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: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -111.191870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.191870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.191870 (E_RNA)
where:
Base-Base interactions energy: -50.070
where: short stacking energy: -50.070
Base-Backbone interact. energy: -0.007
local terms energy: -61.115297
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -10.826
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -129.019372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.019372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.019372 (E_RNA)
where:
Base-Base interactions energy: -66.337
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.055
local terms energy: -62.627944
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.170
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: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -100.631440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.631440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.631440 (E_RNA)
where:
Base-Base interactions energy: -41.013
where: short stacking energy: -40.569
Base-Backbone interact. energy: 0.770
local terms energy: -60.388754
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -99.753708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753708 (E_RNA)
where:
Base-Base interactions energy: -42.440
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.324
local terms energy: -56.990254
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -9.608
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -84.973556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973556 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.101
local terms energy: -49.746616
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -80.430622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430622 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -26.294
Base-Backbone interact. energy: 0.171
local terms energy: -51.894319
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -74.712339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.712339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.712339 (E_RNA)
where:
Base-Base interactions energy: -27.902
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.891
local terms energy: -45.918969
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -192.352543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.352543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.352543 (E_RNA)
where:
Base-Base interactions energy: -113.808
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.010
local terms energy: -78.534557
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -17.236
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -202.115616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115616 (E_RNA)
where:
Base-Base interactions energy: -119.177
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.064
local terms energy: -82.874473
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -20.780
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: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -117.001755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.001755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.001755 (E_RNA)
where:
Base-Base interactions energy: -56.686
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.172
local terms energy: -60.143809
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -103.996046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.996046 (E_RNA)
where:
Base-Base interactions energy: -41.630
where: short stacking energy: -38.812
Base-Backbone interact. energy: 0.060
local terms energy: -62.426779
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.952
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: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -146.560613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.560613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.560613 (E_RNA)
where:
Base-Base interactions energy: -87.588
where: short stacking energy: -48.482
Base-Backbone interact. energy: -0.092
local terms energy: -58.880680
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -9.699
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -103.043372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.043372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.043372 (E_RNA)
where:
Base-Base interactions energy: -45.382
where: short stacking energy: -35.630
Base-Backbone interact. energy: -0.358
local terms energy: -57.303314
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -93.121160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.121160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.121160 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.086
local terms energy: -52.891844
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -10.116
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: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -88.563520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.563520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.563520 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -22.521
Base-Backbone interact. energy: -0.113
local terms energy: -56.911378
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -94.088371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088371 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -26.460
Base-Backbone interact. energy: 0.192
local terms energy: -50.852016
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -92.941379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.941379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.941379 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.590
local terms energy: -52.051336
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -196.887821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.887821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.887821 (E_RNA)
where:
Base-Base interactions energy: -119.724
where: short stacking energy: -68.238
Base-Backbone interact. energy: 0.021
local terms energy: -77.185663
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -19.498
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: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -198.492624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.492624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.492624 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.000
local terms energy: -77.808735
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -116.972325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.972325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.972325 (E_RNA)
where:
Base-Base interactions energy: -58.585
where: short stacking energy: -43.859
Base-Backbone interact. energy: -1.560
local terms energy: -56.827753
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -153.999670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.999670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.999670 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.208
local terms energy: -56.503638
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -7.544
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: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -97.014500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.014500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.014500 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.032
local terms energy: -62.447614
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -103.944088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.944088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.944088 (E_RNA)
where:
Base-Base interactions energy: -45.645
where: short stacking energy: -36.167
Base-Backbone interact. energy: -0.099
local terms energy: -58.199691
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -6.200
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: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -84.637063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637063 (E_RNA)
where:
Base-Base interactions energy: -23.973
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.240
local terms energy: -60.423186
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -85.025369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025369 (E_RNA)
where:
Base-Base interactions energy: -29.399
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.249
local terms energy: -55.376527
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.056
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -86.038953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038953 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.015
local terms energy: -62.903081
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -5.955
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: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -81.700755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700755 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -19.707
Base-Backbone interact. energy: -0.279
local terms energy: -52.285821
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: 3.025
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -208.080789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.080789 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -77.401
Base-Backbone interact. energy: -0.238
local terms energy: -80.543211
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -22.352
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -191.630223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.630223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.630223 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -71.206
Base-Backbone interact. energy: -0.008
local terms energy: -74.758654
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -136.207503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.207503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.207503 (E_RNA)
where:
Base-Base interactions energy: -70.702
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.001
local terms energy: -65.503884
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -7.921
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: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -107.605637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.605637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.605637 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -42.389
Base-Backbone interact. energy: -0.308
local terms energy: -63.123942
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.822
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: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -101.262489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.262489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.262489 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -41.060
Base-Backbone interact. energy: -0.216
local terms energy: -54.361484
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -101.648421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.648421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.648421 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.053
local terms energy: -53.558476
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -1.184
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: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -89.520874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.520874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.520874 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -26.792
Base-Backbone interact. energy: 0.775
local terms energy: -51.766306
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -81.886292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.886292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.886292 (E_RNA)
where:
Base-Base interactions energy: -28.756
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.107
local terms energy: -53.023302
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -89.432291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432291 (E_RNA)
where:
Base-Base interactions energy: -45.950
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.394
local terms energy: -43.089076
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -77.957559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.957559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.957559 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -27.263
Base-Backbone interact. energy: -1.892
local terms energy: -44.676397
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -199.396332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.396332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.396332 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.003
local terms energy: -74.910353
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -188.430564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.430564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.430564 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.021
local terms energy: -72.871096
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.345
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -126.924794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.924794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.924794 (E_RNA)
where:
Base-Base interactions energy: -63.285
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.159
local terms energy: -63.481108
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -117.812001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.812001 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.000
local terms energy: -71.729802
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -113.921443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.921443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.921443 (E_RNA)
where:
Base-Base interactions energy: -54.636
where: short stacking energy: -45.393
Base-Backbone interact. energy: -0.178
local terms energy: -59.107466
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -100.723069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.723069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.723069 (E_RNA)
where:
Base-Base interactions energy: -56.633
where: short stacking energy: -32.222
Base-Backbone interact. energy: 0.672
local terms energy: -44.761791
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -94.792499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792499 (E_RNA)
where:
Base-Base interactions energy: -48.458
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.479
local terms energy: -45.855744
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -85.899039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899039 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -31.868
Base-Backbone interact. energy: 0.801
local terms energy: -54.879774
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.230157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.230157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.230157 (E_RNA)
where:
Base-Base interactions energy: -27.703
where: short stacking energy: -28.003
Base-Backbone interact. energy: 3.100
local terms energy: -59.626781
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.454270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454270 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -24.326
Base-Backbone interact. energy: 0.940
local terms energy: -52.959690
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -199.876785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.876785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876785 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.084
local terms energy: -76.311833
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -192.046450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.046450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.046450 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -68.698
Base-Backbone interact. energy: -1.128
local terms energy: -72.493334
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -116.558865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.558865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.558865 (E_RNA)
where:
Base-Base interactions energy: -49.364
where: short stacking energy: -46.304
Base-Backbone interact. energy: 0.321
local terms energy: -67.516040
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -112.912321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.912321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.912321 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -36.503
Base-Backbone interact. energy: 0.390
local terms energy: -56.776108
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -102.303812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.303812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.303812 (E_RNA)
where:
Base-Base interactions energy: -52.053
where: short stacking energy: -30.197
Base-Backbone interact. energy: 1.136
local terms energy: -51.385934
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -93.176503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.176503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.176503 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -33.567
Base-Backbone interact. energy: 0.353
local terms energy: -59.962581
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -93.772914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.772914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.772914 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -36.588
Base-Backbone interact. energy: 0.440
local terms energy: -48.583488
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -78.791346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.791346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.791346 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -23.506
Base-Backbone interact. energy: -0.142
local terms energy: -54.455825
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -0.810
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -81.381088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381088 (E_RNA)
where:
Base-Base interactions energy: -29.045
where: short stacking energy: -15.309
Base-Backbone interact. energy: -0.396
local terms energy: -51.939599
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: 1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -92.994992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.994992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.994992 (E_RNA)
where:
Base-Base interactions energy: -44.991
where: short stacking energy: -23.733
Base-Backbone interact. energy: -0.464
local terms energy: -47.540341
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -9.941
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -201.298993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.298993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.298993 (E_RNA)
where:
Base-Base interactions energy: -125.067
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.012
local terms energy: -76.220072
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -200.112799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.112799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.112799 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -75.516
Base-Backbone interact. energy: -0.135
local terms energy: -77.185365
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -126.689950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.689950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.689950 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -53.810
Base-Backbone interact. energy: 1.216
local terms energy: -74.096561
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -14.652
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -110.934404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.934404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.934404 (E_RNA)
where:
Base-Base interactions energy: -51.450
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.533
local terms energy: -58.951225
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.399
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: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -113.432305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.432305 (E_RNA)
where:
Base-Base interactions energy: -54.930
where: short stacking energy: -35.609
Base-Backbone interact. energy: -0.538
local terms energy: -57.964919
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -110.535586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.535586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.535586 (E_RNA)
where:
Base-Base interactions energy: -57.069
where: short stacking energy: -24.348
Base-Backbone interact. energy: -1.402
local terms energy: -52.064298
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -95.960851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.960851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.960851 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.189
local terms energy: -57.881661
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -83.252623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252623 (E_RNA)
where:
Base-Base interactions energy: -28.595
where: short stacking energy: -25.120
Base-Backbone interact. energy: -0.161
local terms energy: -54.496412
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -80.483877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.483877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.483877 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -24.973
Base-Backbone interact. energy: -0.081
local terms energy: -48.449358
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.952
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: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -68.322455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.322455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.322455 (E_RNA)
where:
Base-Base interactions energy: -25.496
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.127
local terms energy: -42.699301
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: -4.545
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -203.615991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.615991 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.019
local terms energy: -84.381282
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -22.942
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: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -194.896440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.896440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.896440 (E_RNA)
where:
Base-Base interactions energy: -113.227
where: short stacking energy: -63.065
Base-Backbone interact. energy: 0.310
local terms energy: -81.979158
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -106.046692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.046692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.046692 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -38.893
Base-Backbone interact. energy: -0.212
local terms energy: -65.973481
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.974
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: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -106.604457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.604457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.604457 (E_RNA)
where:
Base-Base interactions energy: -45.604
where: short stacking energy: -29.387
Base-Backbone interact. energy: 0.249
local terms energy: -61.250133
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.043
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: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -127.933145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.933145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.933145 (E_RNA)
where:
Base-Base interactions energy: -61.323
where: short stacking energy: -36.386
Base-Backbone interact. energy: -1.194
local terms energy: -65.416265
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -95.044155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044155 (E_RNA)
where:
Base-Base interactions energy: -49.212
where: short stacking energy: -43.827
Base-Backbone interact. energy: -0.113
local terms energy: -45.718887
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -5.178
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: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -90.176750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.176750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.176750 (E_RNA)
where:
Base-Base interactions energy: -38.192
where: short stacking energy: -25.078
Base-Backbone interact. energy: -0.192
local terms energy: -51.792532
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -3.687
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: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -87.365413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365413 (E_RNA)
where:
Base-Base interactions energy: -43.607
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.018
local terms energy: -43.740237
where:
bonds (distance) C4'-P energy: -6.592
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: 0.810
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: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.678985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.678985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.678985 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -22.548
Base-Backbone interact. energy: -0.891
local terms energy: -49.887801
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -84.867391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867391 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -31.650
Base-Backbone interact. energy: 0.110
local terms energy: -52.998685
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -205.709683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.709683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.709683 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.458
local terms energy: -81.248797
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -186.653139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.653139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.653139 (E_RNA)
where:
Base-Base interactions energy: -115.362
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.003
local terms energy: -71.287883
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -131.757189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.757189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.757189 (E_RNA)
where:
Base-Base interactions energy: -65.275
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.685
local terms energy: -65.797826
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -7.838
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: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -115.022016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.022016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.022016 (E_RNA)
where:
Base-Base interactions energy: -49.488
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.870
local terms energy: -64.664876
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -105.518924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.518924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.518924 (E_RNA)
where:
Base-Base interactions energy: -51.281
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.117
local terms energy: -54.120713
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -97.008064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.008064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.008064 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.104
local terms energy: -60.287197
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -83.030579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.030579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.030579 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -30.745
Base-Backbone interact. energy: 0.893
local terms energy: -51.939665
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -85.576613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.576613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.576613 (E_RNA)
where:
Base-Base interactions energy: -33.382
where: short stacking energy: -27.180
Base-Backbone interact. energy: -0.124
local terms energy: -52.070179
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -6.578
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -81.808439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.808439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.808439 (E_RNA)
where:
Base-Base interactions energy: -27.694
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.003
local terms energy: -54.110615
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -82.725853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.725853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.725853 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -22.621
Base-Backbone interact. energy: -0.067
local terms energy: -47.437655
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -195.515991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.515991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.515991 (E_RNA)
where:
Base-Base interactions energy: -115.981
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.018
local terms energy: -79.517637
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -188.730189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.730189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.730189 (E_RNA)
where:
Base-Base interactions energy: -117.478
where: short stacking energy: -65.700
Base-Backbone interact. energy: -0.002
local terms energy: -71.250554
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -18.293
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -129.052004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.052004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.052004 (E_RNA)
where:
Base-Base interactions energy: -68.237
where: short stacking energy: -44.820
Base-Backbone interact. energy: -0.264
local terms energy: -60.550855
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -120.569326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.569326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.569326 (E_RNA)
where:
Base-Base interactions energy: -60.855
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.066
local terms energy: -59.648319
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -109.747566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.747566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.747566 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.190
local terms energy: -62.299522
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -108.304768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.304768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.304768 (E_RNA)
where:
Base-Base interactions energy: -48.650
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.141
local terms energy: -59.513605
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.162
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: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -86.933575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933575 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.233
local terms energy: -52.717610
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -87.878783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.878783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.878783 (E_RNA)
where:
Base-Base interactions energy: -31.262
where: short stacking energy: -31.189
Base-Backbone interact. energy: -0.140
local terms energy: -56.476581
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -75.611125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.611125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.611125 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.253
local terms energy: -42.167447
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -86.796816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796816 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -20.873
Base-Backbone interact. energy: -0.347
local terms energy: -49.501557
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -195.240901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.240901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.240901 (E_RNA)
where:
Base-Base interactions energy: -118.117
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.636
local terms energy: -76.487616
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -13.053
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: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -195.912243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.912243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.912243 (E_RNA)
where:
Base-Base interactions energy: -113.804
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.245
local terms energy: -81.863608
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -117.077154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.077154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.077154 (E_RNA)
where:
Base-Base interactions energy: -60.890
where: short stacking energy: -49.342
Base-Backbone interact. energy: -0.027
local terms energy: -56.160263
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -6.952
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: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -123.163657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.163657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.163657 (E_RNA)
where:
Base-Base interactions energy: -49.640
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.001
local terms energy: -73.522870
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -108.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.027432 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.070
local terms energy: -60.113780
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -101.111057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.111057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.111057 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -23.047
Base-Backbone interact. energy: -0.458
local terms energy: -50.828305
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -86.471082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.471082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.471082 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.139
local terms energy: -52.746368
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -11.340
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: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -92.570857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570857 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -34.352
Base-Backbone interact. energy: -0.333
local terms energy: -46.940055
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -3.662
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: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -98.531636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.531636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.531636 (E_RNA)
where:
Base-Base interactions energy: -40.512
where: short stacking energy: -31.971
Base-Backbone interact. energy: 0.426
local terms energy: -58.446003
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.885
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: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -74.852493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.852493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.852493 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.091
local terms energy: -43.211345
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -196.009336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.009336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.009336 (E_RNA)
where:
Base-Base interactions energy: -116.904
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.297
local terms energy: -78.808414
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -194.851860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.851860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.851860 (E_RNA)
where:
Base-Base interactions energy: -114.456
where: short stacking energy: -61.684
Base-Backbone interact. energy: -1.861
local terms energy: -78.534470
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.024
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: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -127.754496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.754496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.754496 (E_RNA)
where:
Base-Base interactions energy: -74.452
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.043
local terms energy: -53.259981
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -114.906874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.906874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906874 (E_RNA)
where:
Base-Base interactions energy: -55.708
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.908
local terms energy: -58.291459
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -4.273
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: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -103.219621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219621 (E_RNA)
where:
Base-Base interactions energy: -40.710
where: short stacking energy: -23.367
Base-Backbone interact. energy: -0.278
local terms energy: -62.231311
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -12.372
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: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -94.243580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.243580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.243580 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.109
local terms energy: -61.513788
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -91.095120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095120 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.881
local terms energy: -53.038631
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -4.333
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -90.331615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331615 (E_RNA)
where:
Base-Base interactions energy: -44.580
where: short stacking energy: -21.735
Base-Backbone interact. energy: -0.073
local terms energy: -45.678994
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -93.863389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.863389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.863389 (E_RNA)
where:
Base-Base interactions energy: -36.598
where: short stacking energy: -21.048
Base-Backbone interact. energy: -0.179
local terms energy: -57.086319
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -86.230058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.230058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.230058 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -26.370
Base-Backbone interact. energy: 0.051
local terms energy: -47.911494
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.286
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: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -207.826234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.826234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.826234 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -75.553
Base-Backbone interact. energy: -0.812
local terms energy: -80.821200
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -22.896
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -184.253137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.253137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253137 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.247
local terms energy: -74.669276
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -17.722
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: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -124.947076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.947076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.947076 (E_RNA)
where:
Base-Base interactions energy: -68.922
where: short stacking energy: -48.633
Base-Backbone interact. energy: 0.009
local terms energy: -56.034534
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -5.345
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: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -118.521303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.521303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.521303 (E_RNA)
where:
Base-Base interactions energy: -62.771
where: short stacking energy: -26.786
Base-Backbone interact. energy: -0.086
local terms energy: -55.664433
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -110.663892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.663892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.663892 (E_RNA)
where:
Base-Base interactions energy: -55.597
where: short stacking energy: -40.628
Base-Backbone interact. energy: -0.169
local terms energy: -54.898423
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -100.103534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.103534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.103534 (E_RNA)
where:
Base-Base interactions energy: -43.962
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.114
local terms energy: -56.027674
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -9.746
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -107.716164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.716164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.716164 (E_RNA)
where:
Base-Base interactions energy: -55.248
where: short stacking energy: -21.538
Base-Backbone interact. energy: -0.277
local terms energy: -52.191169
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: 1.468
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: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -84.097528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097528 (E_RNA)
where:
Base-Base interactions energy: -24.872
where: short stacking energy: -23.363
Base-Backbone interact. energy: -0.236
local terms energy: -58.990458
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -84.362838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362838 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -28.906
Base-Backbone interact. energy: 0.292
local terms energy: -47.380123
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -93.859600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859600 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.051
local terms energy: -56.550080
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -204.806837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806837 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.276
local terms energy: -75.557735
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.430
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: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -195.184370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184370 (E_RNA)
where:
Base-Base interactions energy: -116.535
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.005
local terms energy: -78.644663
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -111.846363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.846363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.846363 (E_RNA)
where:
Base-Base interactions energy: -57.051
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.321
local terms energy: -54.473826
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -118.530197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.530197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.530197 (E_RNA)
where:
Base-Base interactions energy: -62.192
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.286
local terms energy: -56.051938
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -109.562368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.562368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.562368 (E_RNA)
where:
Base-Base interactions energy: -50.655
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.172
local terms energy: -58.734883
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -88.365040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.365040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.365040 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.069
local terms energy: -50.496478
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -89.261592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.261592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.261592 (E_RNA)
where:
Base-Base interactions energy: -46.760
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.140
local terms energy: -42.361465
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -90.961974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961974 (E_RNA)
where:
Base-Base interactions energy: -44.578
where: short stacking energy: -35.168
Base-Backbone interact. energy: 0.045
local terms energy: -46.429192
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -4.765
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: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -80.619108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.619108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.619108 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.174
local terms energy: -41.720169
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -83.695266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695266 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.516
local terms energy: -47.182669
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -5.525
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: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -198.233018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.233018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.233018 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.064
local terms energy: -76.539015
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -196.749392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.749392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.749392 (E_RNA)
where:
Base-Base interactions energy: -118.894
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.596
local terms energy: -77.260001
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -110.858225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.858225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.858225 (E_RNA)
where:
Base-Base interactions energy: -54.335
where: short stacking energy: -47.105
Base-Backbone interact. energy: -0.265
local terms energy: -56.257714
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -104.343138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.343138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.343138 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.221
local terms energy: -65.387107
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -132.406729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.406729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.406729 (E_RNA)
where:
Base-Base interactions energy: -82.195
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.731
local terms energy: -49.480805
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -6.015
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: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -103.959791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.959791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.959791 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.535
local terms energy: -55.248888
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -87.832327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.832327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.832327 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -35.220
Base-Backbone interact. energy: 1.999
local terms energy: -54.611383
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.616697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.616697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.616697 (E_RNA)
where:
Base-Base interactions energy: -37.208
where: short stacking energy: -20.877
Base-Backbone interact. energy: -0.640
local terms energy: -45.768443
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -77.958654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.958654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.958654 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -22.213
Base-Backbone interact. energy: -0.154
local terms energy: -48.781332
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -73.420181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.420181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.420181 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.211
local terms energy: -46.033564
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -204.956128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956128 (E_RNA)
where:
Base-Base interactions energy: -125.040
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.028
local terms energy: -79.888653
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.842
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: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -190.455530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.455530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.455530 (E_RNA)
where:
Base-Base interactions energy: -121.066
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.656
local terms energy: -68.733696
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -122.603997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.603997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.603997 (E_RNA)
where:
Base-Base interactions energy: -51.758
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.001
local terms energy: -70.845381
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.175
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: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -112.396242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.396242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.396242 (E_RNA)
where:
Base-Base interactions energy: -50.462
where: short stacking energy: -50.309
Base-Backbone interact. energy: -0.038
local terms energy: -61.896094
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -6.078
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: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -100.687351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687351 (E_RNA)
where:
Base-Base interactions energy: -46.681
where: short stacking energy: -36.587
Base-Backbone interact. energy: -0.367
local terms energy: -53.638967
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -10.038
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: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -106.029853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.029853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.029853 (E_RNA)
where:
Base-Base interactions energy: -48.602
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.102
local terms energy: -57.326032
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.104
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: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -81.660400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.660400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.660400 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.456
local terms energy: -48.165377
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -82.702481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702481 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -24.844
Base-Backbone interact. energy: 0.939
local terms energy: -37.416040
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: 5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -79.554420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.554420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.554420 (E_RNA)
where:
Base-Base interactions energy: -29.355
where: short stacking energy: -23.910
Base-Backbone interact. energy: -0.021
local terms energy: -50.178477
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -81.972185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.972185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.972185 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.142
local terms energy: -49.146230
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -188.357292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.357292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.357292 (E_RNA)
where:
Base-Base interactions energy: -113.799
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.001
local terms energy: -74.556546
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -202.306302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.306302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.306302 (E_RNA)
where:
Base-Base interactions energy: -129.428
where: short stacking energy: -68.565
Base-Backbone interact. energy: -0.725
local terms energy: -72.152970
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -130.951995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.951995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.951995 (E_RNA)
where:
Base-Base interactions energy: -62.420
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.113
local terms energy: -68.418941
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -14.569
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -121.125626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.125626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.125626 (E_RNA)
where:
Base-Base interactions energy: -65.579
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.287
local terms energy: -55.259458
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.541
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: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -111.218455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.218455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.218455 (E_RNA)
where:
Base-Base interactions energy: -45.329
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.204
local terms energy: -65.685192
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -106.120364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.120364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.120364 (E_RNA)
where:
Base-Base interactions energy: -60.499
where: short stacking energy: -34.156
Base-Backbone interact. energy: 0.987
local terms energy: -46.608355
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -101.107025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.107025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.107025 (E_RNA)
where:
Base-Base interactions energy: -53.061
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.184
local terms energy: -47.861614
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -104.699333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.699333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.699333 (E_RNA)
where:
Base-Base interactions energy: -49.548
where: short stacking energy: -43.180
Base-Backbone interact. energy: -0.166
local terms energy: -54.985898
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -11.198
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: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -77.537004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.537004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.537004 (E_RNA)
where:
Base-Base interactions energy: -29.695
where: short stacking energy: -19.042
Base-Backbone interact. energy: -0.391
local terms energy: -47.450954
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -0.353
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -68.461687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.461687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.461687 (E_RNA)
where:
Base-Base interactions energy: -20.962
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.367
local terms energy: -47.132840
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -196.647609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.647609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.647609 (E_RNA)
where:
Base-Base interactions energy: -119.478
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.004
local terms energy: -77.165587
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -189.867640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.867640 (E_RNA)
where:
Base-Base interactions energy: -119.497
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.014
local terms energy: -70.357287
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -123.302761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.302761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.302761 (E_RNA)
where:
Base-Base interactions energy: -64.822
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.149
local terms energy: -58.331749
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -137.172521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.172521 (E_RNA)
where:
Base-Base interactions energy: -71.343
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.307
local terms energy: -65.523303
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -113.821991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.821991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.821991 (E_RNA)
where:
Base-Base interactions energy: -47.681
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.131
local terms energy: -66.009614
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -113.180920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.180920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.180920 (E_RNA)
where:
Base-Base interactions energy: -53.020
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.061
local terms energy: -60.099409
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -11.097
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -94.294764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.294764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.294764 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -36.090
Base-Backbone interact. energy: -0.067
local terms energy: -57.663222
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -96.370963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.370963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.370963 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.440
local terms energy: -58.928970
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -83.716994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.716994 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -29.715
Base-Backbone interact. energy: -0.148
local terms energy: -53.037302
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -75.449898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449898 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -24.504
Base-Backbone interact. energy: -0.126
local terms energy: -50.108145
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -191.567805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.567805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.567805 (E_RNA)
where:
Base-Base interactions energy: -117.639
where: short stacking energy: -64.067
Base-Backbone interact. energy: -1.663
local terms energy: -72.266314
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -190.342021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.342021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.342021 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.000
local terms energy: -76.908653
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -124.597683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.597683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.597683 (E_RNA)
where:
Base-Base interactions energy: -62.772
where: short stacking energy: -43.909
Base-Backbone interact. energy: -0.129
local terms energy: -61.696536
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -141.219327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.219327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.219327 (E_RNA)
where:
Base-Base interactions energy: -71.576
where: short stacking energy: -47.577
Base-Backbone interact. energy: -0.125
local terms energy: -69.518423
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -120.816277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.816277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.816277 (E_RNA)
where:
Base-Base interactions energy: -59.523
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.277
local terms energy: -61.016997
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.843
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -90.878802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878802 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.013
local terms energy: -51.902768
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -99.591161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.591161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.591161 (E_RNA)
where:
Base-Base interactions energy: -47.711
where: short stacking energy: -29.913
Base-Backbone interact. energy: 0.015
local terms energy: -51.895178
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.359267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359267 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.186
local terms energy: -53.627821
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.639
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -87.386540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.386540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.386540 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.739
local terms energy: -54.971543
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -78.632027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.632027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.632027 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.775
Base-Backbone interact. energy: -0.067
local terms energy: -44.790655
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -196.914898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.914898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.914898 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.009
local terms energy: -75.164175
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.497
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: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -179.256957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.256957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.256957 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -59.241
Base-Backbone interact. energy: 0.272
local terms energy: -68.281448
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -125.413259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.413259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.413259 (E_RNA)
where:
Base-Base interactions energy: -62.185
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.057
local terms energy: -63.171766
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -11.640
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: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -102.246441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.246441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.246441 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.478
local terms energy: -62.359846
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -102.910257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910257 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.055
local terms energy: -57.064474
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -9.019
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: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -106.947699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.947699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.947699 (E_RNA)
where:
Base-Base interactions energy: -54.855
where: short stacking energy: -39.933
Base-Backbone interact. energy: -0.183
local terms energy: -51.910390
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -9.503
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: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -88.613473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.613473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.613473 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.047
local terms energy: -50.110062
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -104.162726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.162726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.162726 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -42.486
Base-Backbone interact. energy: -0.105
local terms energy: -61.571390
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -90.454891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454891 (E_RNA)
where:
Base-Base interactions energy: -39.704
where: short stacking energy: -39.598
Base-Backbone interact. energy: -0.322
local terms energy: -50.428870
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -81.424053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.424053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.424053 (E_RNA)
where:
Base-Base interactions energy: -29.757
where: short stacking energy: -27.779
Base-Backbone interact. energy: 0.564
local terms energy: -52.230671
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -197.062869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.062869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.062869 (E_RNA)
where:
Base-Base interactions energy: -115.951
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.548
local terms energy: -80.563441
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -192.420635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.420635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.420635 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.028
local terms energy: -72.167314
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -109.800974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.800974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.800974 (E_RNA)
where:
Base-Base interactions energy: -46.767
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.254
local terms energy: -62.779595
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -110.283311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.283311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.283311 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.014
local terms energy: -63.275083
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -118.635393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.635393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.635393 (E_RNA)
where:
Base-Base interactions energy: -51.534
where: short stacking energy: -39.966
Base-Backbone interact. energy: 0.779
local terms energy: -67.881277
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -114.469881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.469881 (E_RNA)
where:
Base-Base interactions energy: -56.693
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.162
local terms energy: -57.614611
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -92.903466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.903466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.903466 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -31.789
Base-Backbone interact. energy: -0.008
local terms energy: -59.628259
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -97.186903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.186903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.186903 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.105
local terms energy: -62.236680
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -9.661
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: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.232718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232718 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.137
local terms energy: -50.083339
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 0.520
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: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -89.206964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206964 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.428
local terms energy: -50.618869
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -201.038144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.038144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.038144 (E_RNA)
where:
Base-Base interactions energy: -124.062
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.414
local terms energy: -76.561581
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -22.004
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: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -181.589670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.589670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.589670 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -55.584
Base-Backbone interact. energy: 1.222
local terms energy: -71.868203
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -10.859
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: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -133.512733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.512733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.512733 (E_RNA)
where:
Base-Base interactions energy: -61.267
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.000
local terms energy: -72.245670
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -122.039876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.039876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.039876 (E_RNA)
where:
Base-Base interactions energy: -62.088
where: short stacking energy: -35.448
Base-Backbone interact. energy: -0.095
local terms energy: -59.857301
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -103.340926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.340926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.340926 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -32.506
Base-Backbone interact. energy: -0.006
local terms energy: -60.055547
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -6.952
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: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -96.110598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.110598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.110598 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.302
local terms energy: -53.708176
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -93.269067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269067 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.153
local terms energy: -64.184877
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -82.823975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823975 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -21.308
Base-Backbone interact. energy: -0.322
local terms energy: -56.566678
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -11.977
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: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -77.515564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.515564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.515564 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.125
local terms energy: -50.944146
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -80.314092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.314092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.314092 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.139
local terms energy: -47.831422
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -4.233
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: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -189.915914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.915914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.915914 (E_RNA)
where:
Base-Base interactions energy: -119.944
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.001
local terms energy: -69.971078
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -133.546126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.546126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.546126 (E_RNA)
where:
Base-Base interactions energy: -59.712
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.032
local terms energy: -73.802299
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -169.196334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.196334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.196334 (E_RNA)
where:
Base-Base interactions energy: -107.603
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.535
local terms energy: -61.058541
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -10.406
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: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -131.686708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.686708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.686708 (E_RNA)
where:
Base-Base interactions energy: -66.292
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.533
local terms energy: -64.861392
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -97.163388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.163388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.163388 (E_RNA)
where:
Base-Base interactions energy: -52.923
where: short stacking energy: -33.576
Base-Backbone interact. energy: 1.268
local terms energy: -45.507834
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: 0.760
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -107.666807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.666807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.666807 (E_RNA)
where:
Base-Base interactions energy: -55.688
where: short stacking energy: -40.200
Base-Backbone interact. energy: 0.051
local terms energy: -52.030021
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -7.389
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.152523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.152523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.152523 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.168
local terms energy: -57.076772
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -3.818
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -101.671738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.671738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.671738 (E_RNA)
where:
Base-Base interactions energy: -49.234
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.329
local terms energy: -52.108300
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.397
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: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -87.058641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.058641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.058641 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -28.132
Base-Backbone interact. energy: 1.490
local terms energy: -52.851442
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -86.807295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.807295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.807295 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -31.606
Base-Backbone interact. energy: 2.424
local terms energy: -51.057031
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -6.826
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: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -204.480412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.480412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.480412 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -76.105
Base-Backbone interact. energy: -0.021
local terms energy: -80.912266
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -120.008179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.008179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.008179 (E_RNA)
where:
Base-Base interactions energy: -49.402
where: short stacking energy: -47.345
Base-Backbone interact. energy: -0.004
local terms energy: -70.602376
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -13.694
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: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -144.997419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.997419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.997419 (E_RNA)
where:
Base-Base interactions energy: -88.345
where: short stacking energy: -48.209
Base-Backbone interact. energy: -0.413
local terms energy: -56.239160
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -142.633553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.633553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.633553 (E_RNA)
where:
Base-Base interactions energy: -81.273
where: short stacking energy: -41.049
Base-Backbone interact. energy: -1.232
local terms energy: -60.128481
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -95.620383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.620383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.620383 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -29.026
Base-Backbone interact. energy: 0.422
local terms energy: -60.498399
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -9.993
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: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -108.311787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.311787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.311787 (E_RNA)
where:
Base-Base interactions energy: -49.522
where: short stacking energy: -38.731
Base-Backbone interact. energy: -0.423
local terms energy: -58.366709
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.730
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: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -91.682222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682222 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -35.988
Base-Backbone interact. energy: -0.078
local terms energy: -48.845478
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -94.170588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.170588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.170588 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -34.390
Base-Backbone interact. energy: 0.906
local terms energy: -60.786410
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -80.660496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.660496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.660496 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -20.018
Base-Backbone interact. energy: -0.044
local terms energy: -44.818916
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -5.732
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: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -76.063173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.063173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.063173 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.165
local terms energy: -41.771621
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -5.304
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: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -205.229650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.229650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229650 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.000
local terms energy: -79.475180
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -172.634912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.634912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.634912 (E_RNA)
where:
Base-Base interactions energy: -102.722
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.037
local terms energy: -69.876621
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -122.618107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.618107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.618107 (E_RNA)
where:
Base-Base interactions energy: -57.953
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.176
local terms energy: -64.489009
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -90.989925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.989925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.989925 (E_RNA)
where:
Base-Base interactions energy: -38.086
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.131
local terms energy: -52.772934
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.887
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: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -112.354362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.354362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.354362 (E_RNA)
where:
Base-Base interactions energy: -50.515
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.192
local terms energy: -61.647778
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -97.510194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.510194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.510194 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.098
local terms energy: -55.347183
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -8.046
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: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -103.340044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.340044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.340044 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.066
local terms energy: -59.287905
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -84.024021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024021 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -23.852
Base-Backbone interact. energy: -0.196
local terms energy: -43.248622
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -0.498
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: 253
Temperature: 1.300000
Total energy: -80.516997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.516997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.516997 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.323
local terms energy: -47.530621
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -6.529
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: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.535104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.535104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.535104 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.216
local terms energy: -48.544437
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -205.477232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.477232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.477232 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.002
local terms energy: -84.775409
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -177.513678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.513678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.513678 (E_RNA)
where:
Base-Base interactions energy: -112.043
where: short stacking energy: -55.878
Base-Backbone interact. energy: -0.056
local terms energy: -65.415050
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -110.267972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.267972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.267972 (E_RNA)
where:
Base-Base interactions energy: -48.528
where: short stacking energy: -43.746
Base-Backbone interact. energy: 2.768
local terms energy: -64.508843
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -121.078210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.078210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.078210 (E_RNA)
where:
Base-Base interactions energy: -58.888
where: short stacking energy: -49.780
Base-Backbone interact. energy: 0.009
local terms energy: -62.199068
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -106.194152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.194152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.194152 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.226
local terms energy: -59.258709
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -91.541309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.541309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.541309 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -26.067
Base-Backbone interact. energy: -1.220
local terms energy: -50.235735
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -103.997129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.997129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.997129 (E_RNA)
where:
Base-Base interactions energy: -54.272
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.216
local terms energy: -49.508619
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -87.115128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.115128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.115128 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.305
local terms energy: -53.895178
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -80.864790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.864790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.864790 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -22.862
Base-Backbone interact. energy: 0.826
local terms energy: -51.978833
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -77.256401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.256401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.256401 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.093
local terms energy: -44.531201
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -208.267289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.267289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267289 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -71.666
Base-Backbone interact. energy: -0.053
local terms energy: -70.523858
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -145.662174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.662174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.662174 (E_RNA)
where:
Base-Base interactions energy: -92.009
where: short stacking energy: -45.000
Base-Backbone interact. energy: 1.482
local terms energy: -55.135091
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -129.171297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.171297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.171297 (E_RNA)
where:
Base-Base interactions energy: -62.915
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.061
local terms energy: -66.195479
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.387
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: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -136.164172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.164172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.164172 (E_RNA)
where:
Base-Base interactions energy: -70.307
where: short stacking energy: -59.864
Base-Backbone interact. energy: 0.868
local terms energy: -66.725330
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -114.731344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.731344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.731344 (E_RNA)
where:
Base-Base interactions energy: -52.626
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.134
local terms energy: -61.971338
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -92.672761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672761 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -36.331
Base-Backbone interact. energy: -1.064
local terms energy: -56.677368
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -92.593624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.593624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.593624 (E_RNA)
where:
Base-Base interactions energy: -36.043
where: short stacking energy: -36.043
Base-Backbone interact. energy: -0.114
local terms energy: -56.436691
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -93.172611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172611 (E_RNA)
where:
Base-Base interactions energy: -44.899
where: short stacking energy: -29.571
Base-Backbone interact. energy: 0.231
local terms energy: -48.504339
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -78.841654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.841654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.841654 (E_RNA)
where:
Base-Base interactions energy: -29.055
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.074
local terms energy: -49.712937
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.247
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: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -75.918948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.918948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.918948 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -20.036
Base-Backbone interact. energy: -0.713
local terms energy: -41.698389
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -191.185109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.185109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185109 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -63.580
Base-Backbone interact. energy: -0.009
local terms energy: -75.245759
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -181.544267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.544267 (E_RNA)
where:
Base-Base interactions energy: -117.610
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.004
local terms energy: -63.930386
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -149.904525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.904525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.904525 (E_RNA)
where:
Base-Base interactions energy: -82.115
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.742
local terms energy: -67.047468
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -118.269112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.269112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.269112 (E_RNA)
where:
Base-Base interactions energy: -45.818
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.014
local terms energy: -72.437151
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.317
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: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -102.539645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.539645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.539645 (E_RNA)
where:
Base-Base interactions energy: -41.382
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.009
local terms energy: -61.149155
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -105.563420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.563420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.563420 (E_RNA)
where:
Base-Base interactions energy: -55.363
where: short stacking energy: -39.951
Base-Backbone interact. energy: -0.157
local terms energy: -50.042711
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -3.873
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: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -89.573390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573390 (E_RNA)
where:
Base-Base interactions energy: -31.383
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.009
local terms energy: -58.182007
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -7.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -85.706376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.706376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.706376 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -26.895
Base-Backbone interact. energy: -0.081
local terms energy: -55.195938
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -6.995
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -87.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484206 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.288
local terms energy: -53.319854
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -5.604
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: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -83.613295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.613295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.613295 (E_RNA)
where:
Base-Base interactions energy: -40.664
where: short stacking energy: -17.695
Base-Backbone interact. energy: -0.802
local terms energy: -42.147696
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: 4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -195.855669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.855669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.855669 (E_RNA)
where:
Base-Base interactions energy: -124.908
where: short stacking energy: -75.376
Base-Backbone interact. energy: -0.003
local terms energy: -70.945146
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -140.365221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.365221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.365221 (E_RNA)
where:
Base-Base interactions energy: -80.076
where: short stacking energy: -49.432
Base-Backbone interact. energy: -0.156
local terms energy: -60.132959
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -1.412
tors. eta vs tors. theta energy: -10.411
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: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -156.916664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.916664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.916664 (E_RNA)
where:
Base-Base interactions energy: -89.202
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.093
local terms energy: -67.621297
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -116.993485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.993485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.993485 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.141
local terms energy: -66.744015
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -11.354
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: 257
Temperature: 1.100000
Total energy: -108.568308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.568308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.568308 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -38.216
Base-Backbone interact. energy: -0.010
local terms energy: -70.342466
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -10.103
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: 257
Temperature: 1.150000
Total energy: -102.326657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.326657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.326657 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.580
local terms energy: -58.037622
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -8.114
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: 257
Temperature: 1.200000
Total energy: -100.823921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.823921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.823921 (E_RNA)
where:
Base-Base interactions energy: -47.718
where: short stacking energy: -42.353
Base-Backbone interact. energy: -0.008
local terms energy: -53.096980
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.285
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: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -99.765472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765472 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.106
local terms energy: -55.593562
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -9.556
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -78.318853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318853 (E_RNA)
where:
Base-Base interactions energy: -26.068
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.373
local terms energy: -51.877777
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -3.533
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: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -85.055841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.055841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.055841 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -24.698
Base-Backbone interact. energy: 0.880
local terms energy: -49.581402
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -8.647
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: 258
Temperature: 0.900000
Total energy: -194.189229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.189229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.189229 (E_RNA)
where:
Base-Base interactions energy: -116.696
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.128
local terms energy: -77.365499
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -111.828249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.828249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.828249 (E_RNA)
where:
Base-Base interactions energy: -60.690
where: short stacking energy: -26.719
Base-Backbone interact. energy: 1.281
local terms energy: -52.419972
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -160.834747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.834747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.834747 (E_RNA)
where:
Base-Base interactions energy: -93.574
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.172
local terms energy: -67.088687
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -113.909470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.909470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.909470 (E_RNA)
where:
Base-Base interactions energy: -64.388
where: short stacking energy: -41.518
Base-Backbone interact. energy: -0.149
local terms energy: -49.372841
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -108.261893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.261893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.261893 (E_RNA)
where:
Base-Base interactions energy: -52.406
where: short stacking energy: -27.390
Base-Backbone interact. energy: -0.838
local terms energy: -55.017770
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.470
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: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -106.912169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.912169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.912169 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -41.510
Base-Backbone interact. energy: 1.360
local terms energy: -61.591703
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -86.950253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950253 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.178
local terms energy: -52.633692
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -78.672530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.672530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.672530 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -28.642
Base-Backbone interact. energy: -1.266
local terms energy: -39.772874
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -8.303
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: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -82.451270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451270 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.124
local terms energy: -56.335978
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -69.315504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.315504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.315504 (E_RNA)
where:
Base-Base interactions energy: -19.129
where: short stacking energy: -19.129
Base-Backbone interact. energy: -0.209
local terms energy: -49.978430
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -11.189
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: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -208.671703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.671703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671703 (E_RNA)
where:
Base-Base interactions energy: -123.940
where: short stacking energy: -77.376
Base-Backbone interact. energy: -0.644
local terms energy: -84.088582
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -151.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.131909 (E_RNA)
where:
Base-Base interactions energy: -87.086
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.609
local terms energy: -63.437245
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -119.402634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.402634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.402634 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.758
local terms energy: -64.899576
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -102.011099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.011099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.011099 (E_RNA)
where:
Base-Base interactions energy: -48.264
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.095
local terms energy: -53.652321
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -119.591746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.591746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.591746 (E_RNA)
where:
Base-Base interactions energy: -69.522
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.025
local terms energy: -50.044594
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -96.271530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.271530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.271530 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.139
local terms energy: -53.044329
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -8.332
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -95.001402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.001402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.001402 (E_RNA)
where:
Base-Base interactions energy: -41.528
where: short stacking energy: -39.844
Base-Backbone interact. energy: -0.041
local terms energy: -53.432446
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -9.611
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -85.881972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.881972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.881972 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -26.403
Base-Backbone interact. energy: 0.102
local terms energy: -49.188094
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -7.788
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: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -79.363305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363305 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -28.198
Base-Backbone interact. energy: 0.485
local terms energy: -49.821360
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -69.442003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.442003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.442003 (E_RNA)
where:
Base-Base interactions energy: -19.177
where: short stacking energy: -16.869
Base-Backbone interact. energy: -0.147
local terms energy: -50.117881
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -206.227282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.227282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.227282 (E_RNA)
where:
Base-Base interactions energy: -124.280
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.002
local terms energy: -81.945362
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -157.054313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.054313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.054313 (E_RNA)
where:
Base-Base interactions energy: -91.173
where: short stacking energy: -49.640
Base-Backbone interact. energy: 0.116
local terms energy: -65.996886
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -10.666
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: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -118.450230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.450230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.450230 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -35.610
Base-Backbone interact. energy: -1.028
local terms energy: -59.307556
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -5.766
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -109.604865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.604865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.604865 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.228
local terms energy: -65.087120
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -105.845677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.845677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.845677 (E_RNA)
where:
Base-Base interactions energy: -51.989
where: short stacking energy: -42.466
Base-Backbone interact. energy: -0.049
local terms energy: -53.807570
where:
bonds (distance) C4'-P energy: -7.864
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -92.328505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.328505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.328505 (E_RNA)
where:
Base-Base interactions energy: -33.158
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.007
local terms energy: -59.164158
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -111.585854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.585854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.585854 (E_RNA)
where:
Base-Base interactions energy: -46.525
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.028
local terms energy: -65.032839
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -84.710476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710476 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.068
local terms energy: -52.194368
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -83.602239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.602239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.602239 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.219
local terms energy: -47.697608
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -4.859
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: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -70.183543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.183543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.183543 (E_RNA)
where:
Base-Base interactions energy: -20.714
where: short stacking energy: -20.714
Base-Backbone interact. energy: -0.017
local terms energy: -49.451659
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -201.707900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.707900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.707900 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -69.359
Base-Backbone interact. energy: -1.205
local terms energy: -73.825090
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -165.839828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.839828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.839828 (E_RNA)
where:
Base-Base interactions energy: -101.482
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.330
local terms energy: -64.027901
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -149.770537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.770537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.770537 (E_RNA)
where:
Base-Base interactions energy: -82.737
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.160
local terms energy: -66.873554
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.154
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: 261
Temperature: 1.050000
Total energy: -117.050371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.050371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.050371 (E_RNA)
where:
Base-Base interactions energy: -58.357
where: short stacking energy: -27.368
Base-Backbone interact. energy: -0.284
local terms energy: -58.408814
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -117.746034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.746034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.746034 (E_RNA)
where:
Base-Base interactions energy: -60.397
where: short stacking energy: -45.169
Base-Backbone interact. energy: -0.325
local terms energy: -57.024375
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -94.214266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.214266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.214266 (E_RNA)
where:
Base-Base interactions energy: -42.431
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.685
local terms energy: -51.098214
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -8.996
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: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -94.800909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.800909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.800909 (E_RNA)
where:
Base-Base interactions energy: -32.540
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.460
local terms energy: -61.800988
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -11.056
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: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -95.925346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925346 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -35.562
Base-Backbone interact. energy: 2.571
local terms energy: -60.976197
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -73.567113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.567113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.567113 (E_RNA)
where:
Base-Base interactions energy: -28.360
where: short stacking energy: -28.360
Base-Backbone interact. energy: 0.362
local terms energy: -45.568385
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: 0.354
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: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -83.406548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.406548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.406548 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.289
local terms energy: -52.547051
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -179.560425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.560425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.560425 (E_RNA)
where:
Base-Base interactions energy: -109.751
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.033
local terms energy: -69.776111
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -200.508712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.508712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.508712 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.005
local terms energy: -78.511151
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -142.671420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.671420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.671420 (E_RNA)
where:
Base-Base interactions energy: -84.557
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.025
local terms energy: -58.088980
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -11.640
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: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -107.951566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.951566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.951566 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.222
local terms energy: -58.538367
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -110.519473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.519473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.519473 (E_RNA)
where:
Base-Base interactions energy: -47.717
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.091
local terms energy: -62.712306
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -100.977917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.977917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.977917 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -39.512
Base-Backbone interact. energy: -0.112
local terms energy: -61.353903
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -90.138101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.138101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.138101 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -33.278
Base-Backbone interact. energy: -0.074
local terms energy: -54.568212
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -93.951691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.951691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.951691 (E_RNA)
where:
Base-Base interactions energy: -49.616
where: short stacking energy: -28.430
Base-Backbone interact. energy: -0.100
local terms energy: -44.235624
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -88.295746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295746 (E_RNA)
where:
Base-Base interactions energy: -28.692
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.184
local terms energy: -59.419734
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -68.135283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.135283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.135283 (E_RNA)
where:
Base-Base interactions energy: -24.086
where: short stacking energy: -21.254
Base-Backbone interact. energy: -0.163
local terms energy: -43.886713
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.259
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: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -185.438734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.438734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.438734 (E_RNA)
where:
Base-Base interactions energy: -109.287
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.785
local terms energy: -75.366467
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.068
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -206.294630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.294630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.294630 (E_RNA)
where:
Base-Base interactions energy: -123.109
where: short stacking energy: -73.141
Base-Backbone interact. energy: -1.144
local terms energy: -82.042329
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -146.190794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.190794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.190794 (E_RNA)
where:
Base-Base interactions energy: -78.483
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.002
local terms energy: -67.705890
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -103.725666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.725666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.725666 (E_RNA)
where:
Base-Base interactions energy: -44.455
where: short stacking energy: -44.066
Base-Backbone interact. energy: -0.097
local terms energy: -59.173330
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -5.696
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: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -110.861189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.861189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.861189 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.704
local terms energy: -66.919673
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -6.229
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: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -101.244499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.244499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.244499 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -41.516
Base-Backbone interact. energy: -0.264
local terms energy: -55.505810
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -91.733696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.733696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.733696 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -22.867
Base-Backbone interact. energy: -0.041
local terms energy: -60.188677
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -14.276
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: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -88.626420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626420 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -23.417
Base-Backbone interact. energy: -0.129
local terms energy: -50.847674
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -2.135
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -73.573597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.573597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.573597 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -34.767
Base-Backbone interact. energy: 0.756
local terms energy: -37.659314
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -76.752920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.752920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.752920 (E_RNA)
where:
Base-Base interactions energy: -29.572
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.001
local terms energy: -47.180149
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -9.414
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: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -192.917229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.917229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.917229 (E_RNA)
where:
Base-Base interactions energy: -115.471
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.009
local terms energy: -77.437232
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -14.928
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -182.653968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.653968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.653968 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -56.039
Base-Backbone interact. energy: 1.285
local terms energy: -69.032169
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -118.443232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.443232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.443232 (E_RNA)
where:
Base-Base interactions energy: -58.317
where: short stacking energy: -29.754
Base-Backbone interact. energy: -1.176
local terms energy: -58.949788
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -1.458
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: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -126.468633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.468633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.468633 (E_RNA)
where:
Base-Base interactions energy: -60.103
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.000
local terms energy: -66.365048
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -11.467
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: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -102.843854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.843854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.843854 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.241
local terms energy: -59.230268
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -86.866109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866109 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.552
local terms energy: -50.753498
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -91.517374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517374 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.138
local terms energy: -47.200405
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -78.619040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619040 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -17.393
Base-Backbone interact. energy: 0.040
local terms energy: -44.027823
where:
bonds (distance) C4'-P energy: -6.527
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -87.644041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.644041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.644041 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.001
local terms energy: -45.520284
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.554958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.554958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.554958 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.275
local terms energy: -56.076378
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -201.842514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.842514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.842514 (E_RNA)
where:
Base-Base interactions energy: -119.700
where: short stacking energy: -71.475
Base-Backbone interact. energy: -0.938
local terms energy: -81.204697
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -204.656831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.656831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.656831 (E_RNA)
where:
Base-Base interactions energy: -125.388
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.006
local terms energy: -79.262976
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -145.245304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.245304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.245304 (E_RNA)
where:
Base-Base interactions energy: -78.480
where: short stacking energy: -39.464
Base-Backbone interact. energy: -0.251
local terms energy: -66.514377
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -124.014377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.014377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.014377 (E_RNA)
where:
Base-Base interactions energy: -60.865
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.093
local terms energy: -63.056662
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -99.113932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.113932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.113932 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.026
local terms energy: -62.450281
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -8.338
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: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -102.941210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.941210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.941210 (E_RNA)
where:
Base-Base interactions energy: -40.222
where: short stacking energy: -40.222
Base-Backbone interact. energy: -0.070
local terms energy: -62.648686
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -84.027624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.027624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.027624 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -24.743
Base-Backbone interact. energy: 0.416
local terms energy: -56.168136
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -102.052487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.052487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.052487 (E_RNA)
where:
Base-Base interactions energy: -46.630
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.012
local terms energy: -55.410817
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -88.219684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219684 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -24.386
Base-Backbone interact. energy: -0.275
local terms energy: -48.331187
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -80.952462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.952462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.952462 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -25.712
Base-Backbone interact. energy: -0.108
local terms energy: -50.922444
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -6.776
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -196.521622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521622 (E_RNA)
where:
Base-Base interactions energy: -117.653
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.010
local terms energy: -78.857905
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.180
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: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -202.851697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.851697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.851697 (E_RNA)
where:
Base-Base interactions energy: -121.856
where: short stacking energy: -71.121
Base-Backbone interact. energy: -0.429
local terms energy: -80.565969
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -128.890988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.890988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.890988 (E_RNA)
where:
Base-Base interactions energy: -68.212
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.033
local terms energy: -60.645841
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -111.279595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.279595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.279595 (E_RNA)
where:
Base-Base interactions energy: -48.635
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.105
local terms energy: -62.539623
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -114.440376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.440376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.440376 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -47.836
Base-Backbone interact. energy: -0.204
local terms energy: -64.837202
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -93.436548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.436548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.436548 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.154
local terms energy: -55.067509
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -5.304
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -89.245772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.245772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.245772 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.045
local terms energy: -59.227352
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -8.535
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: 266
Temperature: 1.250000
Total energy: -94.430422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430422 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -37.587
Base-Backbone interact. energy: -0.023
local terms energy: -56.820936
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -97.153676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153676 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -24.705
Base-Backbone interact. energy: 0.900
local terms energy: -47.090485
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -7.531
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -73.696016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.696016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.696016 (E_RNA)
where:
Base-Base interactions energy: -26.565
where: short stacking energy: -26.428
Base-Backbone interact. energy: 0.733
local terms energy: -47.863789
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -197.626092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.626092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.626092 (E_RNA)
where:
Base-Base interactions energy: -119.794
where: short stacking energy: -67.322
Base-Backbone interact. energy: -0.492
local terms energy: -77.340306
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.266
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: 267
Temperature: 0.950000
Total energy: -205.227990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.227990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227990 (E_RNA)
where:
Base-Base interactions energy: -131.190
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.847
local terms energy: -73.190422
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -136.348481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.348481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.348481 (E_RNA)
where:
Base-Base interactions energy: -77.598
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.048
local terms energy: -58.702366
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -133.234710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.234710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.234710 (E_RNA)
where:
Base-Base interactions energy: -73.767
where: short stacking energy: -40.765
Base-Backbone interact. energy: -0.191
local terms energy: -59.277441
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -6.692
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -93.495412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.495412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.495412 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.705
local terms energy: -59.057436
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -9.377
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: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -92.595882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.595882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.595882 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.066
local terms energy: -52.837712
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -97.917394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.917394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.917394 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.022
local terms energy: -58.414731
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -99.068253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.068253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.068253 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -23.229
Base-Backbone interact. energy: -0.196
local terms energy: -51.322117
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -3.016
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: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -93.066325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.066325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.066325 (E_RNA)
where:
Base-Base interactions energy: -42.698
where: short stacking energy: -26.609
Base-Backbone interact. energy: 0.388
local terms energy: -50.756493
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -82.105546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.105546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.105546 (E_RNA)
where:
Base-Base interactions energy: -37.203
where: short stacking energy: -34.027
Base-Backbone interact. energy: 1.398
local terms energy: -46.301235
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -10.992
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: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -196.200511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.200511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.200511 (E_RNA)
where:
Base-Base interactions energy: -121.818
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.014
local terms energy: -74.368504
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -17.097
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: 268
Temperature: 0.950000
Total energy: -197.348145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.348145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.348145 (E_RNA)
where:
Base-Base interactions energy: -117.287
where: short stacking energy: -69.507
Base-Backbone interact. energy: 1.536
local terms energy: -81.596780
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -133.617446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.617446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.617446 (E_RNA)
where:
Base-Base interactions energy: -74.944
where: short stacking energy: -41.129
Base-Backbone interact. energy: -0.110
local terms energy: -58.562784
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -120.509197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.509197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.509197 (E_RNA)
where:
Base-Base interactions energy: -64.481
where: short stacking energy: -26.578
Base-Backbone interact. energy: -0.125
local terms energy: -55.902951
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -3.613
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: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -115.040470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.040470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.040470 (E_RNA)
where:
Base-Base interactions energy: -55.915
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.101
local terms energy: -59.024572
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.094
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: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -94.114297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114297 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.145
local terms energy: -60.403448
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -99.780154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.780154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.780154 (E_RNA)
where:
Base-Base interactions energy: -41.569
where: short stacking energy: -41.569
Base-Backbone interact. energy: -0.189
local terms energy: -58.022249
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -12.906
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: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -87.075458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.075458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.075458 (E_RNA)
where:
Base-Base interactions energy: -42.973
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.077
local terms energy: -44.025411
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -73.400860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.400860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.400860 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.076
local terms energy: -42.319858
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -92.896579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.896579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.896579 (E_RNA)
where:
Base-Base interactions energy: -41.832
where: short stacking energy: -39.879
Base-Backbone interact. energy: -0.050
local terms energy: -51.015282
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -8.474
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -201.452062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.452062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.452062 (E_RNA)
where:
Base-Base interactions energy: -122.374
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.050
local terms energy: -79.027474
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -199.595318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595318 (E_RNA)
where:
Base-Base interactions energy: -121.964
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.002
local terms energy: -77.628863
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -137.484917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.484917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.484917 (E_RNA)
where:
Base-Base interactions energy: -75.922
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.144
local terms energy: -61.418807
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -141.003773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.003773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.003773 (E_RNA)
where:
Base-Base interactions energy: -74.787
where: short stacking energy: -47.298
Base-Backbone interact. energy: 1.333
local terms energy: -67.550011
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -97.773242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.773242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.773242 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -46.217
Base-Backbone interact. energy: -0.036
local terms energy: -51.520280
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -98.843926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.843926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.843926 (E_RNA)
where:
Base-Base interactions energy: -42.665
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.657
local terms energy: -55.522212
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -78.659276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.659276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.659276 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.101
local terms energy: -52.675201
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -6.348
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: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -83.257180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257180 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -29.861
Base-Backbone interact. energy: 0.392
local terms energy: -53.789088
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -83.067021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.067021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.067021 (E_RNA)
where:
Base-Base interactions energy: -33.742
where: short stacking energy: -28.417
Base-Backbone interact. energy: 0.459
local terms energy: -49.783908
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -6.458
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: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -84.142213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142213 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.068
local terms energy: -54.484660
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -200.733802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.733802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.733802 (E_RNA)
where:
Base-Base interactions energy: -122.732
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.022
local terms energy: -77.980479
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -194.706905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.706905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.706905 (E_RNA)
where:
Base-Base interactions energy: -120.937
where: short stacking energy: -73.713
Base-Backbone interact. energy: -0.295
local terms energy: -73.475507
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -130.627107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.627107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.627107 (E_RNA)
where:
Base-Base interactions energy: -75.430
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.211
local terms energy: -54.986310
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -119.446933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.446933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.446933 (E_RNA)
where:
Base-Base interactions energy: -59.558
where: short stacking energy: -42.142
Base-Backbone interact. energy: -0.456
local terms energy: -59.433214
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -111.558782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.558782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.558782 (E_RNA)
where:
Base-Base interactions energy: -51.656
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.108
local terms energy: -59.794792
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -101.097612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.097612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.097612 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.084
local terms energy: -64.763875
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -87.935427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.935427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.935427 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.146
local terms energy: -55.240625
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -6.195
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: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -91.494837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494837 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -32.344
Base-Backbone interact. energy: -0.105
local terms energy: -48.340939
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -83.428669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.428669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.428669 (E_RNA)
where:
Base-Base interactions energy: -31.348
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.132
local terms energy: -51.948607
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.753965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.753965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.753965 (E_RNA)
where:
Base-Base interactions energy: -27.540
where: short stacking energy: -23.756
Base-Backbone interact. energy: 0.114
local terms energy: -47.328294
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -203.560863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.560863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.560863 (E_RNA)
where:
Base-Base interactions energy: -121.108
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.167
local terms energy: -82.285917
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -22.276
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -200.946860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.946860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.946860 (E_RNA)
where:
Base-Base interactions energy: -118.436
where: short stacking energy: -70.392
Base-Backbone interact. energy: -0.079
local terms energy: -82.431591
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -119.543153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.543153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.543153 (E_RNA)
where:
Base-Base interactions energy: -54.862
where: short stacking energy: -35.444
Base-Backbone interact. energy: -0.083
local terms energy: -64.598410
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -108.296988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.296988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.296988 (E_RNA)
where:
Base-Base interactions energy: -51.560
where: short stacking energy: -44.571
Base-Backbone interact. energy: -1.282
local terms energy: -55.454622
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -101.298570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.298570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.298570 (E_RNA)
where:
Base-Base interactions energy: -42.630
where: short stacking energy: -39.699
Base-Backbone interact. energy: -0.365
local terms energy: -58.303836
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -90.236967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.236967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.236967 (E_RNA)
where:
Base-Base interactions energy: -39.687
where: short stacking energy: -39.887
Base-Backbone interact. energy: -0.081
local terms energy: -50.469550
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -89.392189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.392189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.392189 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.063
local terms energy: -49.687628
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -87.996874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996874 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -35.885
Base-Backbone interact. energy: 1.312
local terms energy: -53.276597
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -89.311427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311427 (E_RNA)
where:
Base-Base interactions energy: -46.841
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.484
local terms energy: -41.985918
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -101.715212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.715212 (E_RNA)
where:
Base-Base interactions energy: -48.022
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.049
local terms energy: -53.644164
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -200.180943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.180943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.180943 (E_RNA)
where:
Base-Base interactions energy: -125.647
where: short stacking energy: -76.920
Base-Backbone interact. energy: -0.042
local terms energy: -74.491986
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -198.615923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.615923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.615923 (E_RNA)
where:
Base-Base interactions energy: -118.601
where: short stacking energy: -72.003
Base-Backbone interact. energy: -1.496
local terms energy: -78.519044
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -123.441003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.441003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.441003 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -35.275
Base-Backbone interact. energy: -1.120
local terms energy: -67.549238
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -106.899252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.899252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.899252 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.015
local terms energy: -63.885131
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -9.360
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: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -101.516325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.516325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.516325 (E_RNA)
where:
Base-Base interactions energy: -33.662
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.049
local terms energy: -67.805430
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -10.529
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: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -115.448421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.448421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.448421 (E_RNA)
where:
Base-Base interactions energy: -59.454
where: short stacking energy: -42.255
Base-Backbone interact. energy: -0.167
local terms energy: -55.827043
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.407
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: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -93.653816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.653816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.653816 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.110
local terms energy: -56.904759
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -8.341
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: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -82.764784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.764784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.764784 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -18.940
Base-Backbone interact. energy: -0.396
local terms energy: -50.004972
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -81.793803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.793803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.793803 (E_RNA)
where:
Base-Base interactions energy: -26.478
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.045
local terms energy: -55.271433
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -86.747333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747333 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.153
local terms energy: -49.563181
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -8.704
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: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -195.450996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450996 (E_RNA)
where:
Base-Base interactions energy: -116.914
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.000
local terms energy: -78.536586
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -198.174314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174314 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.002
local terms energy: -73.383772
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -19.214
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: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -137.967929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.967929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.967929 (E_RNA)
where:
Base-Base interactions energy: -67.448
where: short stacking energy: -42.050
Base-Backbone interact. energy: 1.150
local terms energy: -71.669659
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -104.061771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061771 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.658
local terms energy: -53.270204
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -11.958
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: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -111.572150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.572150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.572150 (E_RNA)
where:
Base-Base interactions energy: -48.328
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.187
local terms energy: -63.056324
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -8.487
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: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -93.229331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.229331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.229331 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.260
local terms energy: -56.684318
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -7.995
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -84.165580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.165580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.165580 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.146
local terms energy: -44.851632
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -84.236869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.236869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.236869 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -30.569
Base-Backbone interact. energy: 0.262
local terms energy: -53.930324
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -79.730076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.730076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.730076 (E_RNA)
where:
Base-Base interactions energy: -25.974
where: short stacking energy: -23.930
Base-Backbone interact. energy: -0.060
local terms energy: -53.696407
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.395
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: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -76.985073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.985073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.985073 (E_RNA)
where:
Base-Base interactions energy: -25.082
where: short stacking energy: -23.701
Base-Backbone interact. energy: -0.927
local terms energy: -50.976524
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -2.422
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: 274
Temperature: 0.900000
Total energy: -205.774382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.774382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.774382 (E_RNA)
where:
Base-Base interactions energy: -125.614
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.421
local terms energy: -79.739535
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -21.793
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: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -190.386734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386734 (E_RNA)
where:
Base-Base interactions energy: -113.089
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.003
local terms energy: -77.294148
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -136.349236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.349236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.349236 (E_RNA)
where:
Base-Base interactions energy: -67.129
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.225
local terms energy: -68.994801
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -105.282795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.282795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.282795 (E_RNA)
where:
Base-Base interactions energy: -42.806
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.224
local terms energy: -62.252897
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -103.623346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.623346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.623346 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.114
local terms energy: -60.304783
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -9.814
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: 274
Temperature: 1.150000
Total energy: -94.105674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.105674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.105674 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -40.275
Base-Backbone interact. energy: 3.262
local terms energy: -54.783284
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -89.872030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.872030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.872030 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -35.548
Base-Backbone interact. energy: -0.059
local terms energy: -54.264549
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -9.909
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: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -76.591164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.591164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.591164 (E_RNA)
where:
Base-Base interactions energy: -27.001
where: short stacking energy: -21.153
Base-Backbone interact. energy: -1.727
local terms energy: -47.862822
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -11.350
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -82.016263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016263 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.526
Base-Backbone interact. energy: 0.599
local terms energy: -51.719522
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.404836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.404836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.404836 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -25.367
Base-Backbone interact. energy: -1.140
local terms energy: -48.898113
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -7.945
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -205.659042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659042 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.351
local terms energy: -79.822220
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -188.405526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.405526 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.913
local terms energy: -68.974704
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -120.111429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.111429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.111429 (E_RNA)
where:
Base-Base interactions energy: -57.944
where: short stacking energy: -49.715
Base-Backbone interact. energy: -0.013
local terms energy: -62.154067
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -102.368206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.368206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.368206 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -41.412
Base-Backbone interact. energy: 0.365
local terms energy: -61.321321
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -105.442996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.442996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.442996 (E_RNA)
where:
Base-Base interactions energy: -46.569
where: short stacking energy: -47.529
Base-Backbone interact. energy: 1.349
local terms energy: -60.222502
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -104.914871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.914871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.914871 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -39.902
Base-Backbone interact. energy: -0.012
local terms energy: -62.938660
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.803826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.803826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.803826 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -30.297
Base-Backbone interact. energy: -0.243
local terms energy: -49.239421
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -92.672731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672731 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.034
local terms energy: -52.021386
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -76.766623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.766623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.766623 (E_RNA)
where:
Base-Base interactions energy: -25.713
where: short stacking energy: -23.666
Base-Backbone interact. energy: -0.353
local terms energy: -50.700696
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -4.302
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: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -81.198050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198050 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -24.351
Base-Backbone interact. energy: 0.618
local terms energy: -41.447599
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: 4.690
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: 276
Temperature: 0.900000
Total energy: -196.407143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.407143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.407143 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -71.873
Base-Backbone interact. energy: -0.001
local terms energy: -78.772461
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -22.450
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -198.573741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.573741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.573741 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.237
local terms energy: -77.510232
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -119.264153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.264153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.264153 (E_RNA)
where:
Base-Base interactions energy: -51.333
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.005
local terms energy: -67.926046
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -14.853
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: 276
Temperature: 1.050000
Total energy: -113.631853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.631853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.631853 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -37.665
Base-Backbone interact. energy: -0.230
local terms energy: -54.969147
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -8.233
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: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -106.620640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.620640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.620640 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.010
local terms energy: -51.281669
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -8.120
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -7.564
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: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -88.280557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.280557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.280557 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.187
local terms energy: -55.926175
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.970
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: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.286308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.286308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.286308 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.509
local terms energy: -51.427877
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -86.053113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053113 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.016
local terms energy: -48.631158
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -3.817
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -81.625446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.625446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.625446 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -19.453
Base-Backbone interact. energy: -0.433
local terms energy: -45.784261
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -4.869
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: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.028243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.028243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.028243 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -27.392
Base-Backbone interact. energy: -0.355
local terms energy: -51.641879
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -191.503621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.503621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.503621 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -72.421
Base-Backbone interact. energy: 1.199
local terms energy: -75.475216
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -193.321888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.321888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.321888 (E_RNA)
where:
Base-Base interactions energy: -114.843
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.004
local terms energy: -78.475651
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -22.223
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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -119.980024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.980024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.980024 (E_RNA)
where:
Base-Base interactions energy: -60.567
where: short stacking energy: -42.518
Base-Backbone interact. energy: 0.061
local terms energy: -59.473939
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -8.372
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -130.747156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.747156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.747156 (E_RNA)
where:
Base-Base interactions energy: -64.102
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.100
local terms energy: -66.544956
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.702
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -98.267921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267921 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -36.309
Base-Backbone interact. energy: 0.240
local terms energy: -53.349803
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.196
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: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -101.964533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964533 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.552
local terms energy: -55.595958
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -88.989972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.989972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.989972 (E_RNA)
where:
Base-Base interactions energy: -27.093
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.037
local terms energy: -61.859601
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.984
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: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -86.976726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.976726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.976726 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.019
local terms energy: -53.114086
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -78.930392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.930392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.930392 (E_RNA)
where:
Base-Base interactions energy: -34.449
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.380
local terms energy: -44.100842
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -84.344262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.344262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.344262 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.009
local terms energy: -52.372508
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -202.437634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.437634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.437634 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.316
local terms energy: -78.967019
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -21.509
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: 278
Temperature: 0.950000
Total energy: -187.629062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.629062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.629062 (E_RNA)
where:
Base-Base interactions energy: -121.755
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.010
local terms energy: -65.863984
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -143.300554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.300554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.300554 (E_RNA)
where:
Base-Base interactions energy: -72.749
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.010
local terms energy: -70.540926
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -116.527354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.527354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.527354 (E_RNA)
where:
Base-Base interactions energy: -63.006
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.090
local terms energy: -53.431618
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -136.426025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.426025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.426025 (E_RNA)
where:
Base-Base interactions energy: -73.735
where: short stacking energy: -41.017
Base-Backbone interact. energy: -0.264
local terms energy: -62.426997
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -96.941876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.941876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.941876 (E_RNA)
where:
Base-Base interactions energy: -43.062
where: short stacking energy: -31.819
Base-Backbone interact. energy: 0.743
local terms energy: -54.623036
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -94.284455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.284455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.284455 (E_RNA)
where:
Base-Base interactions energy: -43.068
where: short stacking energy: -43.068
Base-Backbone interact. energy: -0.111
local terms energy: -51.105734
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -86.163447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.163447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.163447 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.259
local terms energy: -56.390698
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -8.428
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -81.161288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161288 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.807
local terms energy: -47.188982
where:
bonds (distance) C4'-P energy: -7.261
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -72.174269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.174269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.174269 (E_RNA)
where:
Base-Base interactions energy: -19.681
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.236
local terms energy: -52.257325
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -206.014423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.014423 (E_RNA)
where:
Base-Base interactions energy: -124.967
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.157
local terms energy: -80.889940
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -21.097
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -174.294082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.294082 (E_RNA)
where:
Base-Base interactions energy: -103.664
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.089
local terms energy: -70.541456
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -126.765221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.765221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.765221 (E_RNA)
where:
Base-Base interactions energy: -66.489
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.439
local terms energy: -59.837541
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -109.944179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.944179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.944179 (E_RNA)
where:
Base-Base interactions energy: -49.148
where: short stacking energy: -34.128
Base-Backbone interact. energy: 0.038
local terms energy: -60.833841
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -98.971344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.971344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.971344 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.083
local terms energy: -63.813218
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -14.794
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -98.913803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.913803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.913803 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.030
local terms energy: -57.131983
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -4.145
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: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -94.792022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792022 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.335
local terms energy: -62.270164
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -83.072336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072336 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.310
local terms energy: -45.370285
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -0.654
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -79.308787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.308787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.308787 (E_RNA)
where:
Base-Base interactions energy: -30.190
where: short stacking energy: -30.175
Base-Backbone interact. energy: -1.275
local terms energy: -47.843798
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -75.812930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.812930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.812930 (E_RNA)
where:
Base-Base interactions energy: -27.882
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.211
local terms energy: -47.719419
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -205.359516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.359516 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.032
local terms energy: -78.133810
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -22.342
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: 280
Temperature: 0.950000
Total energy: -181.702530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.702530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.702530 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.841
local terms energy: -69.201719
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -108.804632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.804632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.804632 (E_RNA)
where:
Base-Base interactions energy: -43.800
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.394
local terms energy: -64.610246
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -107.106788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.106788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.106788 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.063
local terms energy: -63.973112
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -6.136
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: 280
Temperature: 1.100000
Total energy: -103.194449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.194449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.194449 (E_RNA)
where:
Base-Base interactions energy: -45.706
where: short stacking energy: -34.695
Base-Backbone interact. energy: -0.089
local terms energy: -57.399838
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -98.363510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363510 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -39.862
Base-Backbone interact. energy: -0.013
local terms energy: -57.495219
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -102.938701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.938701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.938701 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -32.606
Base-Backbone interact. energy: -0.346
local terms energy: -51.037048
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -4.330
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: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -90.793422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793422 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -32.711
Base-Backbone interact. energy: -0.157
local terms energy: -53.698549
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -81.784322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784322 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.159
local terms energy: -42.814623
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -7.791
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -75.851131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.851131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.851131 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -25.119
Base-Backbone interact. energy: -0.191
local terms energy: -45.029174
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -2.527
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: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -204.828204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828204 (E_RNA)
where:
Base-Base interactions energy: -131.278
where: short stacking energy: -79.931
Base-Backbone interact. energy: -0.025
local terms energy: -73.524741
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -20.261
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: 281
Temperature: 0.950000
Total energy: -196.457768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.457768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.457768 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.694
local terms energy: -73.750362
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -110.743952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.743952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.743952 (E_RNA)
where:
Base-Base interactions energy: -52.796
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.127
local terms energy: -57.821227
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -12.171
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -106.296488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.296488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.296488 (E_RNA)
where:
Base-Base interactions energy: -42.129
where: short stacking energy: -39.723
Base-Backbone interact. energy: -0.051
local terms energy: -64.116455
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -107.502081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.502081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.502081 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -45.892
Base-Backbone interact. energy: -0.118
local terms energy: -61.082877
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -92.246532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246532 (E_RNA)
where:
Base-Base interactions energy: -38.359
where: short stacking energy: -30.081
Base-Backbone interact. energy: 1.352
local terms energy: -55.239556
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -106.734428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.734428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.734428 (E_RNA)
where:
Base-Base interactions energy: -49.128
where: short stacking energy: -42.087
Base-Backbone interact. energy: -0.026
local terms energy: -57.580660
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -5.541
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: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -81.912418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.912418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.912418 (E_RNA)
where:
Base-Base interactions energy: -25.478
where: short stacking energy: -25.478
Base-Backbone interact. energy: 0.191
local terms energy: -56.625474
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -88.543348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.543348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.543348 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -33.492
Base-Backbone interact. energy: 1.003
local terms energy: -55.492867
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -75.800075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.800075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.800075 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -24.129
Base-Backbone interact. energy: -0.125
local terms energy: -38.756738
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -197.694135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.694135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.694135 (E_RNA)
where:
Base-Base interactions energy: -122.010
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.010
local terms energy: -75.673750
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -185.951508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.951508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.951508 (E_RNA)
where:
Base-Base interactions energy: -112.474
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.001
local terms energy: -73.476971
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -12.529
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: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -117.483703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.483703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.483703 (E_RNA)
where:
Base-Base interactions energy: -54.072
where: short stacking energy: -44.034
Base-Backbone interact. energy: -0.021
local terms energy: -63.391490
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -118.381575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.381575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.381575 (E_RNA)
where:
Base-Base interactions energy: -52.679
where: short stacking energy: -42.809
Base-Backbone interact. energy: -0.097
local terms energy: -65.605052
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.555
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: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -118.970846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.970846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.970846 (E_RNA)
where:
Base-Base interactions energy: -57.797
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.175
local terms energy: -60.998861
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -94.794020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.794020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.794020 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.243
local terms energy: -52.790798
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -87.903628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903628 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -31.773
Base-Backbone interact. energy: -0.040
local terms energy: -56.090413
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.678
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -84.193001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.193001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.193001 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.123
local terms energy: -54.862361
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -82.391458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.391458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.391458 (E_RNA)
where:
Base-Base interactions energy: -32.574
where: short stacking energy: -22.532
Base-Backbone interact. energy: -0.324
local terms energy: -49.493911
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -6.766
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -72.381779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.381779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.381779 (E_RNA)
where:
Base-Base interactions energy: -21.448
where: short stacking energy: -21.448
Base-Backbone interact. energy: 0.373
local terms energy: -51.307616
where:
bonds (distance) C4'-P energy: -7.430
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.757
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: 283
Temperature: 0.900000
Total energy: -199.597911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.597911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.597911 (E_RNA)
where:
Base-Base interactions energy: -120.227
where: short stacking energy: -73.840
Base-Backbone interact. energy: -1.945
local terms energy: -77.426163
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -190.567474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.567474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567474 (E_RNA)
where:
Base-Base interactions energy: -113.122
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.064
local terms energy: -77.381611
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.119
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: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -116.852992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.852992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.852992 (E_RNA)
where:
Base-Base interactions energy: -54.190
where: short stacking energy: -47.135
Base-Backbone interact. energy: -0.075
local terms energy: -62.587281
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -10.284
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: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -135.243858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.243858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.243858 (E_RNA)
where:
Base-Base interactions energy: -69.620
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.171
local terms energy: -65.452452
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -107.080186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.080186 (E_RNA)
where:
Base-Base interactions energy: -52.199
where: short stacking energy: -28.243
Base-Backbone interact. energy: -1.266
local terms energy: -53.614757
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -107.461576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.461576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.461576 (E_RNA)
where:
Base-Base interactions energy: -47.251
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.047
local terms energy: -60.163520
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -91.311866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.311866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.311866 (E_RNA)
where:
Base-Base interactions energy: -35.109
where: short stacking energy: -35.059
Base-Backbone interact. energy: -0.060
local terms energy: -56.142229
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -87.105796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.105796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.105796 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -33.270
Base-Backbone interact. energy: 0.594
local terms energy: -49.981733
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -97.867035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867035 (E_RNA)
where:
Base-Base interactions energy: -35.946
where: short stacking energy: -32.781
Base-Backbone interact. energy: -0.127
local terms energy: -61.793571
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.080
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: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -79.839666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.839666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.839666 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.472
local terms energy: -38.254433
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -2.390
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: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -202.788973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.788973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.788973 (E_RNA)
where:
Base-Base interactions energy: -128.116
where: short stacking energy: -63.767
Base-Backbone interact. energy: -0.118
local terms energy: -74.555175
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -16.369
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -186.453368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.453368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.453368 (E_RNA)
where:
Base-Base interactions energy: -109.452
where: short stacking energy: -67.612
Base-Backbone interact. energy: 0.861
local terms energy: -77.861749
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -118.571766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.571766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.571766 (E_RNA)
where:
Base-Base interactions energy: -55.878
where: short stacking energy: -39.923
Base-Backbone interact. energy: -1.992
local terms energy: -60.702311
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -9.392
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: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -112.934685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.934685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.934685 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -47.327
Base-Backbone interact. energy: -0.119
local terms energy: -59.840173
where:
bonds (distance) C4'-P energy: -8.024
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -115.283761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.283761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.283761 (E_RNA)
where:
Base-Base interactions energy: -54.202
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.005
local terms energy: -61.077045
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -109.751356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.751356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.751356 (E_RNA)
where:
Base-Base interactions energy: -49.447
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.036
local terms energy: -60.268885
where:
bonds (distance) C4'-P energy: -7.229
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -92.152232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152232 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.057
local terms energy: -57.036913
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -93.924550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.924550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.924550 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -34.335
Base-Backbone interact. energy: -0.187
local terms energy: -53.844256
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -2.515
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -92.626906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626906 (E_RNA)
where:
Base-Base interactions energy: -40.813
where: short stacking energy: -35.669
Base-Backbone interact. energy: 0.219
local terms energy: -52.033139
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -7.337
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: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -70.112726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.112726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.112726 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -23.696
Base-Backbone interact. energy: -0.334
local terms energy: -44.835693
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -1.528
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -219.442480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.442480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.442480 (E_RNA)
where:
Base-Base interactions energy: -137.891
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.232
local terms energy: -81.319913
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -204.560248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560248 (E_RNA)
where:
Base-Base interactions energy: -125.800
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.005
local terms energy: -78.754597
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -119.653831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.653831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.653831 (E_RNA)
where:
Base-Base interactions energy: -57.903
where: short stacking energy: -40.687
Base-Backbone interact. energy: 0.170
local terms energy: -61.920970
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -110.721879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.721879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.721879 (E_RNA)
where:
Base-Base interactions energy: -60.443
where: short stacking energy: -45.617
Base-Backbone interact. energy: 0.249
local terms energy: -50.528447
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -7.393
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: 285
Temperature: 1.100000
Total energy: -123.045561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.045561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.045561 (E_RNA)
where:
Base-Base interactions energy: -63.213
where: short stacking energy: -45.881
Base-Backbone interact. energy: 0.580
local terms energy: -60.411925
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -94.392158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.392158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.392158 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -30.962
Base-Backbone interact. energy: 0.806
local terms energy: -59.240953
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -83.014822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014822 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -37.386
Base-Backbone interact. energy: -0.084
local terms energy: -45.544987
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -90.307020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.307020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.307020 (E_RNA)
where:
Base-Base interactions energy: -41.230
where: short stacking energy: -37.099
Base-Backbone interact. energy: -0.120
local terms energy: -48.956827
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -1.027
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -84.309612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.309612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.309612 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -35.314
Base-Backbone interact. energy: -0.020
local terms energy: -48.975324
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -74.070330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070330 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -21.485
Base-Backbone interact. energy: 0.586
local terms energy: -48.641032
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -8.555
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: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -192.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.654893 (E_RNA)
where:
Base-Base interactions energy: -123.311
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.137
local terms energy: -69.207339
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -13.891
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: 286
Temperature: 0.950000
Total energy: -200.087505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.087505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.087505 (E_RNA)
where:
Base-Base interactions energy: -122.123
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.120
local terms energy: -77.845099
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -11.847
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -120.317482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.317482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.317482 (E_RNA)
where:
Base-Base interactions energy: -65.722
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.599
local terms energy: -53.997280
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -7.352
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: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -102.579973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.579973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.579973 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -37.854
Base-Backbone interact. energy: -0.133
local terms energy: -62.902687
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -102.271365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.271365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.271365 (E_RNA)
where:
Base-Base interactions energy: -50.516
where: short stacking energy: -34.936
Base-Backbone interact. energy: -2.226
local terms energy: -49.529128
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -92.691561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691561 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -21.765
Base-Backbone interact. energy: 0.210
local terms energy: -62.859032
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -99.340413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.340413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.340413 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.149
local terms energy: -55.668630
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -86.163684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.163684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.163684 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.216
local terms energy: -47.982432
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.898
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: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -91.896180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.896180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.896180 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.055
local terms energy: -58.841091
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -80.326176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.326176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.326176 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -26.625
Base-Backbone interact. energy: -0.134
local terms energy: -53.566820
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -8.537
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -192.802979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802979 (E_RNA)
where:
Base-Base interactions energy: -116.916
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.035
local terms energy: -75.852347
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -201.728018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.728018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728018 (E_RNA)
where:
Base-Base interactions energy: -118.809
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.787
local terms energy: -82.132272
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -128.049213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.049213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.049213 (E_RNA)
where:
Base-Base interactions energy: -70.666
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.344
local terms energy: -57.039086
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.098
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: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -122.736476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.736476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.736476 (E_RNA)
where:
Base-Base interactions energy: -61.297
where: short stacking energy: -41.606
Base-Backbone interact. energy: 1.324
local terms energy: -62.764462
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -9.704
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -116.062063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.062063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.062063 (E_RNA)
where:
Base-Base interactions energy: -51.498
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.123
local terms energy: -64.440789
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -12.032
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: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -103.950034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.950034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.950034 (E_RNA)
where:
Base-Base interactions energy: -43.490
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.031
local terms energy: -60.429465
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.121
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -101.150548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.150548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.150548 (E_RNA)
where:
Base-Base interactions energy: -40.978
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.084
local terms energy: -60.088507
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -83.774827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774827 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -25.728
Base-Backbone interact. energy: -0.180
local terms energy: -40.154152
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -93.041423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041423 (E_RNA)
where:
Base-Base interactions energy: -35.134
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.178
local terms energy: -57.729204
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.612681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612681 (E_RNA)
where:
Base-Base interactions energy: -22.863
where: short stacking energy: -23.863
Base-Backbone interact. energy: -0.014
local terms energy: -50.735869
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -205.217348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.217348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.217348 (E_RNA)
where:
Base-Base interactions energy: -125.995
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.441
local terms energy: -78.781485
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -199.200337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.200337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.200337 (E_RNA)
where:
Base-Base interactions energy: -125.054
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.163
local terms energy: -73.983080
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -132.836927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.836927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.836927 (E_RNA)
where:
Base-Base interactions energy: -76.270
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.211
local terms energy: -56.356438
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -134.453765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.453765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.453765 (E_RNA)
where:
Base-Base interactions energy: -65.215
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.030
local terms energy: -69.208696
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.537
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: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -85.509340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509340 (E_RNA)
where:
Base-Base interactions energy: -30.562
where: short stacking energy: -18.080
Base-Backbone interact. energy: -0.479
local terms energy: -54.468208
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.488
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: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -90.240571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240571 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -36.889
Base-Backbone interact. energy: -0.191
local terms energy: -53.160472
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -4.488
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: 288
Temperature: 1.200000
Total energy: -96.657234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.657234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.657234 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.102
local terms energy: -61.295858
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -93.950803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.950803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.950803 (E_RNA)
where:
Base-Base interactions energy: -52.196
where: short stacking energy: -35.025
Base-Backbone interact. energy: -0.855
local terms energy: -40.899604
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -3.176
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: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -92.633585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.633585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.633585 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.119
local terms energy: -52.651084
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -72.279072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.279072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.279072 (E_RNA)
where:
Base-Base interactions energy: -22.581
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.233
local terms energy: -49.464890
where:
bonds (distance) C4'-P energy: -6.448
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -201.149132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.149132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.149132 (E_RNA)
where:
Base-Base interactions energy: -125.289
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.765
local terms energy: -75.095656
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -194.587553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587553 (E_RNA)
where:
Base-Base interactions energy: -120.405
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.028
local terms energy: -74.154035
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.647
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: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -139.519356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.519356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.519356 (E_RNA)
where:
Base-Base interactions energy: -73.183
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.192
local terms energy: -66.144756
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -109.950072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.950072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.950072 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -38.287
Base-Backbone interact. energy: -0.298
local terms energy: -55.783962
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -101.136374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.136374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.136374 (E_RNA)
where:
Base-Base interactions energy: -46.345
where: short stacking energy: -41.703
Base-Backbone interact. energy: 1.173
local terms energy: -55.964165
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -7.582
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: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -102.048734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.048734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.048734 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -37.144
Base-Backbone interact. energy: -0.085
local terms energy: -58.248409
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -91.080675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.080675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.080675 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -31.275
Base-Backbone interact. energy: 2.753
local terms energy: -60.293968
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -87.872440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.872440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.872440 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.631
local terms energy: -49.710038
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -89.051449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.051449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.051449 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -14.294
Base-Backbone interact. energy: -0.150
local terms energy: -55.801263
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.414
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: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -75.031643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.031643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.031643 (E_RNA)
where:
Base-Base interactions energy: -20.851
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.066
local terms energy: -54.114777
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -13.031
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: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -208.559244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.559244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.559244 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.254
local terms energy: -81.915039
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -21.356
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -190.634661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.634661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.634661 (E_RNA)
where:
Base-Base interactions energy: -117.416
where: short stacking energy: -69.392
Base-Backbone interact. energy: -0.447
local terms energy: -72.771092
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -17.668
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: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -143.340228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.340228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.340228 (E_RNA)
where:
Base-Base interactions energy: -72.498
where: short stacking energy: -52.456
Base-Backbone interact. energy: -0.266
local terms energy: -70.575571
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -118.056299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.056299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.056299 (E_RNA)
where:
Base-Base interactions energy: -55.742
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.026
local terms energy: -62.287642
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -99.210526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210526 (E_RNA)
where:
Base-Base interactions energy: -42.360
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.012
local terms energy: -56.838315
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -103.393833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.393833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.393833 (E_RNA)
where:
Base-Base interactions energy: -43.924
where: short stacking energy: -39.654
Base-Backbone interact. energy: 2.146
local terms energy: -61.615304
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -92.467612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467612 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -38.577
Base-Backbone interact. energy: 0.306
local terms energy: -45.981333
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -3.004
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.439064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.439064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.439064 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.058
local terms energy: -48.604506
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.571
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: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -73.638392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.638392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.638392 (E_RNA)
where:
Base-Base interactions energy: -23.834
where: short stacking energy: -23.050
Base-Backbone interact. energy: -0.089
local terms energy: -49.716057
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -85.823677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823677 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.702
local terms energy: -47.763680
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -6.911
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: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -210.144785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.144785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.144785 (E_RNA)
where:
Base-Base interactions energy: -133.497
where: short stacking energy: -71.158
Base-Backbone interact. energy: -0.056
local terms energy: -76.591530
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -186.685611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.685611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.685611 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.031
local terms energy: -77.473734
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -132.600993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.600993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.600993 (E_RNA)
where:
Base-Base interactions energy: -69.102
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.004
local terms energy: -63.494431
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -100.459265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.459265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.459265 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -35.732
Base-Backbone interact. energy: 1.098
local terms energy: -54.369387
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -5.855
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: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -111.657018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.657018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.657018 (E_RNA)
where:
Base-Base interactions energy: -48.954
where: short stacking energy: -33.363
Base-Backbone interact. energy: -0.585
local terms energy: -62.118750
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -93.851603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.851603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.851603 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -34.410
Base-Backbone interact. energy: -0.385
local terms energy: -51.556339
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -9.199
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: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -95.602837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.602837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.602837 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -38.251
Base-Backbone interact. energy: -0.021
local terms energy: -55.723724
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -98.529590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.529590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.529590 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.249
local terms energy: -52.337249
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -79.998212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.998212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.998212 (E_RNA)
where:
Base-Base interactions energy: -32.193
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.225
local terms energy: -47.580486
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.775
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.186691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.186691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.186691 (E_RNA)
where:
Base-Base interactions energy: -28.418
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.117
local terms energy: -50.652233
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -200.838518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.838518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.838518 (E_RNA)
where:
Base-Base interactions energy: -127.988
where: short stacking energy: -67.663
Base-Backbone interact. energy: -0.007
local terms energy: -72.843212
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -185.122685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.122685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122685 (E_RNA)
where:
Base-Base interactions energy: -112.216
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.049
local terms energy: -72.857518
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -115.272199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.272199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.272199 (E_RNA)
where:
Base-Base interactions energy: -50.704
where: short stacking energy: -49.275
Base-Backbone interact. energy: -0.011
local terms energy: -64.557092
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -114.877737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.877737 (E_RNA)
where:
Base-Base interactions energy: -58.146
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.020
local terms energy: -56.711730
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -3.913
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: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -88.199985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199985 (E_RNA)
where:
Base-Base interactions energy: -32.015
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.265
local terms energy: -55.920646
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -84.140185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.140185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.140185 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -25.755
Base-Backbone interact. energy: 0.108
local terms energy: -53.638322
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -88.087030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087030 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.281
local terms energy: -48.658878
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -86.385913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.385913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.385913 (E_RNA)
where:
Base-Base interactions energy: -36.754
where: short stacking energy: -36.754
Base-Backbone interact. energy: 0.007
local terms energy: -49.638565
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -74.628609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.628609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.628609 (E_RNA)
where:
Base-Base interactions energy: -33.913
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.387
local terms energy: -40.329067
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -7.274
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -77.690225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.690225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.690225 (E_RNA)
where:
Base-Base interactions energy: -26.045
where: short stacking energy: -22.305
Base-Backbone interact. energy: -0.091
local terms energy: -51.553653
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -208.468694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.468694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.468694 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -76.435
Base-Backbone interact. energy: -0.167
local terms energy: -78.192618
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -184.511626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.511626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.511626 (E_RNA)
where:
Base-Base interactions energy: -110.189
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.006
local terms energy: -74.316666
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -118.424197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.424197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.424197 (E_RNA)
where:
Base-Base interactions energy: -58.273
where: short stacking energy: -54.282
Base-Backbone interact. energy: -0.100
local terms energy: -60.050582
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -105.278521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.278521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.278521 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.028
local terms energy: -61.420581
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -111.533860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.533860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.533860 (E_RNA)
where:
Base-Base interactions energy: -52.855
where: short stacking energy: -42.344
Base-Backbone interact. energy: -0.248
local terms energy: -58.430531
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -10.649
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: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -88.431561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.431561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.431561 (E_RNA)
where:
Base-Base interactions energy: -36.461
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.226
local terms energy: -51.744084
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -93.960036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.960036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.960036 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.054
local terms energy: -54.399339
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.497
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: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -115.595662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.595662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.595662 (E_RNA)
where:
Base-Base interactions energy: -60.576
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.058
local terms energy: -54.961116
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -71.726911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.726911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.726911 (E_RNA)
where:
Base-Base interactions energy: -27.218
where: short stacking energy: -20.922
Base-Backbone interact. energy: -0.242
local terms energy: -44.267832
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -83.772768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.772768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.772768 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.257
local terms energy: -51.328390
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -199.074203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.074203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.074203 (E_RNA)
where:
Base-Base interactions energy: -122.635
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.007
local terms energy: -76.431714
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -184.772455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.772455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.772455 (E_RNA)
where:
Base-Base interactions energy: -113.455
where: short stacking energy: -68.933
Base-Backbone interact. energy: -0.005
local terms energy: -71.312680
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -115.306705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.306705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.306705 (E_RNA)
where:
Base-Base interactions energy: -52.164
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.047
local terms energy: -63.096304
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -115.759593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.759593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.759593 (E_RNA)
where:
Base-Base interactions energy: -54.127
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.848
local terms energy: -60.784705
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -164.061949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.061949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.061949 (E_RNA)
where:
Base-Base interactions energy: -100.479
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.102
local terms energy: -63.481333
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -11.047
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: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -83.855338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.855338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.855338 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -27.899
Base-Backbone interact. energy: 0.959
local terms energy: -57.315497
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -100.732652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732652 (E_RNA)
where:
Base-Base interactions energy: -39.701
where: short stacking energy: -29.480
Base-Backbone interact. energy: 0.071
local terms energy: -61.103030
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -85.735703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735703 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.248
local terms energy: -49.670436
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -5.734
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -74.698930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.698930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.698930 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.352
local terms energy: -43.608032
where:
bonds (distance) C4'-P energy: -5.629
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -88.481363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481363 (E_RNA)
where:
Base-Base interactions energy: -35.477
where: short stacking energy: -23.023
Base-Backbone interact. energy: -0.095
local terms energy: -52.910035
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -9.242
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: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -199.712991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.712991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.712991 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.000
local terms energy: -82.513767
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -192.421580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.421580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.421580 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.001
local terms energy: -77.250605
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -19.230
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: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -115.939336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.939336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.939336 (E_RNA)
where:
Base-Base interactions energy: -60.686
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.986
local terms energy: -54.267636
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -10.018
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: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -104.140833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.140833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.140833 (E_RNA)
where:
Base-Base interactions energy: -47.364
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.275
local terms energy: -56.502442
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -8.600
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -108.297593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.297593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.297593 (E_RNA)
where:
Base-Base interactions energy: -52.960
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.114
local terms energy: -55.223539
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -98.462700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.462700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.462700 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -41.505
Base-Backbone interact. energy: 0.739
local terms energy: -56.830646
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -109.058810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.058810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.058810 (E_RNA)
where:
Base-Base interactions energy: -62.624
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.540
local terms energy: -45.894634
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.378039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.378039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.378039 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.028
local terms energy: -51.447208
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.326140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.326140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.326140 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -30.676
Base-Backbone interact. energy: -0.028
local terms energy: -53.622939
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -92.817878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.817878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.817878 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -34.631
Base-Backbone interact. energy: -0.086
local terms energy: -57.708672
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -190.415553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415553 (E_RNA)
where:
Base-Base interactions energy: -116.107
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.012
local terms energy: -74.296731
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -195.943695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.943695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.943695 (E_RNA)
where:
Base-Base interactions energy: -123.607
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.015
local terms energy: -72.321705
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -14.135
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: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -113.123985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.123985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.123985 (E_RNA)
where:
Base-Base interactions energy: -45.476
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.130
local terms energy: -67.517670
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.187
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: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -144.072648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.072648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.072648 (E_RNA)
where:
Base-Base interactions energy: -73.639
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.435
local terms energy: -69.999384
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -100.606740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.606740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.606740 (E_RNA)
where:
Base-Base interactions energy: -44.464
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.009
local terms energy: -56.134499
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -7.779
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: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -104.888961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.888961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.888961 (E_RNA)
where:
Base-Base interactions energy: -42.332
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.064
local terms energy: -62.492945
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -82.088904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.088904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.088904 (E_RNA)
where:
Base-Base interactions energy: -38.816
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.234
local terms energy: -43.038132
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -93.429567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.429567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.429567 (E_RNA)
where:
Base-Base interactions energy: -32.498
where: short stacking energy: -32.498
Base-Backbone interact. energy: 0.015
local terms energy: -60.946464
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -11.740
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: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -79.015859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.015859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.015859 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.438
local terms energy: -50.662658
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.266401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.266401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.266401 (E_RNA)
where:
Base-Base interactions energy: -25.959
where: short stacking energy: -23.593
Base-Backbone interact. energy: -0.137
local terms energy: -52.170216
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -5.362
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -185.617752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.617752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.617752 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.006
local terms energy: -76.104644
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -193.929242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929242 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.005
local terms energy: -75.338927
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -17.785
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -115.811396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.811396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.811396 (E_RNA)
where:
Base-Base interactions energy: -57.464
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.333
local terms energy: -58.014109
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.896
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: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -148.969229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.969229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.969229 (E_RNA)
where:
Base-Base interactions energy: -89.769
where: short stacking energy: -47.001
Base-Backbone interact. energy: -0.053
local terms energy: -59.146743
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -4.932
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: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -113.113615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.113615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.113615 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -43.286
Base-Backbone interact. energy: -0.103
local terms energy: -58.830115
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -8.416
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -89.437154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.437154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.437154 (E_RNA)
where:
Base-Base interactions energy: -28.050
where: short stacking energy: -28.050
Base-Backbone interact. energy: -0.032
local terms energy: -61.355693
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.654
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: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -100.414620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.414620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.414620 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.624
local terms energy: -45.609150
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -87.802897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.802897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.802897 (E_RNA)
where:
Base-Base interactions energy: -30.463
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.475
local terms energy: -56.865238
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -91.170814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.170814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.170814 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.070
local terms energy: -55.509389
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -74.747997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.747997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.747997 (E_RNA)
where:
Base-Base interactions energy: -21.566
where: short stacking energy: -21.551
Base-Backbone interact. energy: -0.050
local terms energy: -53.132003
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -2.218
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -192.582268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.582268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.582268 (E_RNA)
where:
Base-Base interactions energy: -117.091
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.013
local terms energy: -75.478397
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -182.624911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.624911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624911 (E_RNA)
where:
Base-Base interactions energy: -114.079
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.010
local terms energy: -68.535611
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -19.549
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: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -169.554550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.554550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.554550 (E_RNA)
where:
Base-Base interactions energy: -100.370
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.033
local terms energy: -69.152283
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -107.815879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.815879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.815879 (E_RNA)
where:
Base-Base interactions energy: -47.102
where: short stacking energy: -42.832
Base-Backbone interact. energy: -0.160
local terms energy: -60.554353
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -103.618158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.618158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.618158 (E_RNA)
where:
Base-Base interactions energy: -45.388
where: short stacking energy: -45.388
Base-Backbone interact. energy: -0.041
local terms energy: -58.189207
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -107.791642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.791642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.791642 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.030
local terms energy: -63.707277
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.191
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: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -87.409750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409750 (E_RNA)
where:
Base-Base interactions energy: -36.687
where: short stacking energy: -36.687
Base-Backbone interact. energy: -0.038
local terms energy: -50.684896
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -7.513
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: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -86.613083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.613083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.613083 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -37.395
Base-Backbone interact. energy: -0.088
local terms energy: -49.130481
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.470
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -79.628067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.628067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.628067 (E_RNA)
where:
Base-Base interactions energy: -27.901
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.008
local terms energy: -51.719328
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -84.468594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.468594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.468594 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -37.122
Base-Backbone interact. energy: -0.145
local terms energy: -42.405360
where:
bonds (distance) C4'-P energy: -5.006
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -199.975200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975200 (E_RNA)
where:
Base-Base interactions energy: -119.648
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.001
local terms energy: -80.326120
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.593
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: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -186.410985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.410985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.410985 (E_RNA)
where:
Base-Base interactions energy: -114.756
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.041
local terms energy: -71.613462
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.042
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: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -163.469594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.469594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.469594 (E_RNA)
where:
Base-Base interactions energy: -96.565
where: short stacking energy: -52.667
Base-Backbone interact. energy: -0.175
local terms energy: -66.729934
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -12.064
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: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -103.631373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.631373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.631373 (E_RNA)
where:
Base-Base interactions energy: -44.339
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.151
local terms energy: -59.141404
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -111.551836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.551836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.551836 (E_RNA)
where:
Base-Base interactions energy: -46.398
where: short stacking energy: -46.041
Base-Backbone interact. energy: -0.088
local terms energy: -65.065821
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -95.492880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492880 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.042
local terms energy: -53.836065
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -93.237944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237944 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -31.185
Base-Backbone interact. energy: -0.534
local terms energy: -58.580712
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -89.471555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471555 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -25.858
Base-Backbone interact. energy: -1.420
local terms energy: -50.093026
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -76.264826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.264826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.264826 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.166
local terms energy: -43.639766
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -84.054584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.054584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.054584 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -21.943
Base-Backbone interact. energy: 0.077
local terms energy: -51.580702
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -200.284718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284718 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.058
local terms energy: -78.688956
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -180.949763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.949763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.949763 (E_RNA)
where:
Base-Base interactions energy: -107.147
where: short stacking energy: -52.806
Base-Backbone interact. energy: -0.260
local terms energy: -73.541950
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -154.025639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.025639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.025639 (E_RNA)
where:
Base-Base interactions energy: -85.780
where: short stacking energy: -46.244
Base-Backbone interact. energy: -0.125
local terms energy: -68.120355
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -106.496467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.496467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.496467 (E_RNA)
where:
Base-Base interactions energy: -46.203
where: short stacking energy: -42.429
Base-Backbone interact. energy: -0.039
local terms energy: -60.253620
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -107.531117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.531117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.531117 (E_RNA)
where:
Base-Base interactions energy: -46.327
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.024
local terms energy: -61.179722
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.836
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: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -91.925529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.925529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.925529 (E_RNA)
where:
Base-Base interactions energy: -33.803
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.176
local terms energy: -57.946053
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.501
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: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -88.372792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372792 (E_RNA)
where:
Base-Base interactions energy: -41.370
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.404
local terms energy: -46.598703
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.927121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927121 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -32.947
Base-Backbone interact. energy: -0.126
local terms energy: -52.293041
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -7.601
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: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -89.440373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.440373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.440373 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.084
local terms energy: -54.997324
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -79.397327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397327 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -33.572
Base-Backbone interact. energy: 0.142
local terms energy: -43.462626
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -2.138
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -197.627199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.627199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.627199 (E_RNA)
where:
Base-Base interactions energy: -119.858
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.013
local terms energy: -77.756195
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -19.838
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: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -193.993880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.993880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.993880 (E_RNA)
where:
Base-Base interactions energy: -118.623
where: short stacking energy: -70.011
Base-Backbone interact. energy: -0.107
local terms energy: -75.264516
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -154.292094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.292094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.292094 (E_RNA)
where:
Base-Base interactions energy: -83.105
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.697
local terms energy: -70.490661
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -99.586259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586259 (E_RNA)
where:
Base-Base interactions energy: -44.668
where: short stacking energy: -44.668
Base-Backbone interact. energy: -0.103
local terms energy: -54.815183
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -8.722
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -105.756633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.756633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.756633 (E_RNA)
where:
Base-Base interactions energy: -53.768
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.129
local terms energy: -51.859255
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -2.451
tors. eta vs tors. theta energy: -7.911
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -116.826334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.826334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.826334 (E_RNA)
where:
Base-Base interactions energy: -62.062
where: short stacking energy: -20.587
Base-Backbone interact. energy: 0.407
local terms energy: -55.171236
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -92.579978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.579978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.579978 (E_RNA)
where:
Base-Base interactions energy: -47.937
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.199
local terms energy: -44.444227
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.045
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: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -96.604954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.604954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.604954 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.816
local terms energy: -65.308774
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -7.452
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: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -80.677065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.677065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.677065 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -13.236
Base-Backbone interact. energy: -0.658
local terms energy: -45.074059
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: 4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -75.565898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.565898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.565898 (E_RNA)
where:
Base-Base interactions energy: -22.808
where: short stacking energy: -22.808
Base-Backbone interact. energy: -0.382
local terms energy: -52.375981
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.052
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: 302
Temperature: 0.900000
Total energy: -203.190030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.190030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.190030 (E_RNA)
where:
Base-Base interactions energy: -118.603
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.952
local terms energy: -83.635097
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -195.960912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960912 (E_RNA)
where:
Base-Base interactions energy: -117.599
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.074
local terms energy: -78.288403
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -167.656488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.656488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.656488 (E_RNA)
where:
Base-Base interactions energy: -96.086
where: short stacking energy: -58.611
Base-Backbone interact. energy: -0.187
local terms energy: -71.383198
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -144.092384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.092384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.092384 (E_RNA)
where:
Base-Base interactions energy: -89.696
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.045
local terms energy: -54.351309
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -109.173576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.173576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.173576 (E_RNA)
where:
Base-Base interactions energy: -50.355
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.644
local terms energy: -58.175332
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -6.916
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -91.898046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.898046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.898046 (E_RNA)
where:
Base-Base interactions energy: -39.212
where: short stacking energy: -31.127
Base-Backbone interact. energy: -0.947
local terms energy: -51.738568
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -3.009
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: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -80.695533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695533 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.600
local terms energy: -39.485138
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -87.390180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.390180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.390180 (E_RNA)
where:
Base-Base interactions energy: -28.713
where: short stacking energy: -26.330
Base-Backbone interact. energy: -0.203
local terms energy: -58.473535
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -82.964189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964189 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.393
local terms energy: -45.163720
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -73.561323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.561323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.561323 (E_RNA)
where:
Base-Base interactions energy: -24.332
where: short stacking energy: -24.332
Base-Backbone interact. energy: -0.022
local terms energy: -49.206951
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -3.926
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -197.501092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.501092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.501092 (E_RNA)
where:
Base-Base interactions energy: -123.574
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.240
local terms energy: -73.687820
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -17.161
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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -190.952007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.952007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.952007 (E_RNA)
where:
Base-Base interactions energy: -115.482
where: short stacking energy: -71.453
Base-Backbone interact. energy: -0.056
local terms energy: -75.414100
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -136.496455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.496455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.496455 (E_RNA)
where:
Base-Base interactions energy: -74.372
where: short stacking energy: -56.321
Base-Backbone interact. energy: 0.813
local terms energy: -62.937452
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -117.992766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.992766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.992766 (E_RNA)
where:
Base-Base interactions energy: -58.739
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.412
local terms energy: -58.842064
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -168.528354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.528354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.528354 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -50.792
Base-Backbone interact. energy: -0.124
local terms energy: -70.872301
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -107.683519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.683519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.683519 (E_RNA)
where:
Base-Base interactions energy: -51.968
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.591
local terms energy: -55.124413
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -87.579662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.579662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.579662 (E_RNA)
where:
Base-Base interactions energy: -30.828
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.157
local terms energy: -56.594403
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -8.809
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -81.274200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.274200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.274200 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.054
local terms energy: -52.233175
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -6.700
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -85.759051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.759051 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -27.019
Base-Backbone interact. energy: -0.051
local terms energy: -54.570110
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -76.204880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.204880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.204880 (E_RNA)
where:
Base-Base interactions energy: -27.384
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.103
local terms energy: -48.717051
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -199.411501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.411501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.411501 (E_RNA)
where:
Base-Base interactions energy: -123.799
where: short stacking energy: -76.952
Base-Backbone interact. energy: -0.096
local terms energy: -75.516915
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -186.785395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.785395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.785395 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.453
local terms energy: -72.529297
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.640
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: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -155.039472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.039472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.039472 (E_RNA)
where:
Base-Base interactions energy: -82.297
where: short stacking energy: -52.636
Base-Backbone interact. energy: -0.034
local terms energy: -72.708708
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -13.147
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: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -110.046203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.046203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.046203 (E_RNA)
where:
Base-Base interactions energy: -52.332
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.258
local terms energy: -57.455751
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -5.851
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -175.243014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.243014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.243014 (E_RNA)
where:
Base-Base interactions energy: -105.597
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.104
local terms energy: -69.541886
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -13.125
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: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -98.773818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.773818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.773818 (E_RNA)
where:
Base-Base interactions energy: -46.362
where: short stacking energy: -27.591
Base-Backbone interact. energy: -1.456
local terms energy: -50.955067
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -87.004868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.004868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.004868 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.401
local terms energy: -51.848180
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -82.125564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.125564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.125564 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.558
local terms energy: -48.311634
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -2.593
flat angles P-C4'-P energy: -7.582
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: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -83.857923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.857923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.857923 (E_RNA)
where:
Base-Base interactions energy: -28.931
where: short stacking energy: -26.877
Base-Backbone interact. energy: -0.015
local terms energy: -54.911418
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.437831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.437831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.437831 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.056
local terms energy: -46.059992
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.423
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: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -200.903788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.903788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.903788 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.002
local terms energy: -72.711225
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -185.498434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.498434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.498434 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.009
local terms energy: -66.379379
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -163.067318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.067318 (E_RNA)
where:
Base-Base interactions energy: -94.473
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.078
local terms energy: -68.515927
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -169.778317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.778317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.778317 (E_RNA)
where:
Base-Base interactions energy: -104.160
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.205
local terms energy: -65.413155
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -114.015930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.015930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.015930 (E_RNA)
where:
Base-Base interactions energy: -51.108
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.051
local terms energy: -62.857274
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -91.637085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.637085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.637085 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -37.009
Base-Backbone interact. energy: -0.402
local terms energy: -46.827445
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -6.464
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: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -85.029149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029149 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -25.757
Base-Backbone interact. energy: -0.218
local terms energy: -55.914317
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.229
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: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -91.038767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038767 (E_RNA)
where:
Base-Base interactions energy: -41.720
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.499
local terms energy: -48.819627
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.334709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334709 (E_RNA)
where:
Base-Base interactions energy: -36.722
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.127
local terms energy: -51.484851
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -81.435099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.435099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.435099 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.042
local terms energy: -49.669512
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -3.078
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: 306
Temperature: 0.900000
Total energy: -194.960732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.960732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.960732 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -73.234
Base-Backbone interact. energy: -0.004
local terms energy: -78.345347
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -200.531138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.531138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.531138 (E_RNA)
where:
Base-Base interactions energy: -124.253
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.065
local terms energy: -76.213271
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.831
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: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -180.494874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.494874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.494874 (E_RNA)
where:
Base-Base interactions energy: -107.212
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.052
local terms energy: -73.230910
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.655
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: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -158.215744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.215744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.215744 (E_RNA)
where:
Base-Base interactions energy: -86.321
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.045
local terms energy: -71.850123
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.439
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: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -109.946553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.946553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.946553 (E_RNA)
where:
Base-Base interactions energy: -44.386
where: short stacking energy: -38.510
Base-Backbone interact. energy: -0.002
local terms energy: -65.558530
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.056
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: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -105.162981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.162981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.162981 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.939
local terms energy: -53.887925
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -93.229470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.229470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.229470 (E_RNA)
where:
Base-Base interactions energy: -44.874
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.081
local terms energy: -48.275079
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -6.157
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: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -78.487071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.487071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.487071 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -29.882
Base-Backbone interact. energy: 0.065
local terms energy: -47.473076
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -4.741
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: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -78.256198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.256198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.256198 (E_RNA)
where:
Base-Base interactions energy: -22.858
where: short stacking energy: -22.858
Base-Backbone interact. energy: -0.396
local terms energy: -55.002155
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: 0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -84.989428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989428 (E_RNA)
where:
Base-Base interactions energy: -30.688
where: short stacking energy: -24.687
Base-Backbone interact. energy: -1.122
local terms energy: -53.179169
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -4.376
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: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -204.155698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.155698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.155698 (E_RNA)
where:
Base-Base interactions energy: -119.745
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.000
local terms energy: -84.410641
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -199.364998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.364998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.364998 (E_RNA)
where:
Base-Base interactions energy: -123.415
where: short stacking energy: -71.279
Base-Backbone interact. energy: -0.010
local terms energy: -75.939542
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -188.464361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.464361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.464361 (E_RNA)
where:
Base-Base interactions energy: -116.857
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.064
local terms energy: -71.542974
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -140.053299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.053299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.053299 (E_RNA)
where:
Base-Base interactions energy: -74.958
where: short stacking energy: -43.731
Base-Backbone interact. energy: -0.019
local terms energy: -65.076617
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -119.271238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.271238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.271238 (E_RNA)
where:
Base-Base interactions energy: -66.206
where: short stacking energy: -37.387
Base-Backbone interact. energy: -0.018
local terms energy: -53.047567
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -6.441
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: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -102.186512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.186512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.186512 (E_RNA)
where:
Base-Base interactions energy: -46.539
where: short stacking energy: -31.829
Base-Backbone interact. energy: 0.538
local terms energy: -56.185019
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -9.739
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: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -99.742444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.742444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.742444 (E_RNA)
where:
Base-Base interactions energy: -38.414
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.008
local terms energy: -61.320103
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -100.119773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.119773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.119773 (E_RNA)
where:
Base-Base interactions energy: -50.796
where: short stacking energy: -34.962
Base-Backbone interact. energy: -0.351
local terms energy: -48.972943
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -7.221
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: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -73.722060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.722060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.722060 (E_RNA)
where:
Base-Base interactions energy: -17.334
where: short stacking energy: -16.767
Base-Backbone interact. energy: -1.187
local terms energy: -55.200702
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -83.435948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435948 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -38.317
Base-Backbone interact. energy: -0.001
local terms energy: -45.118070
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -3.599
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -204.625740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625740 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -76.163
Base-Backbone interact. energy: -0.594
local terms energy: -81.495576
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -191.197052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.197052 (E_RNA)
where:
Base-Base interactions energy: -111.381
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.106
local terms energy: -79.710384
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -195.362884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.362884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.362884 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.004
local terms energy: -75.706795
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -112.633625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.633625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.633625 (E_RNA)
where:
Base-Base interactions energy: -59.176
where: short stacking energy: -41.024
Base-Backbone interact. energy: -0.048
local terms energy: -53.409619
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -4.483
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: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -115.384729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.384729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.384729 (E_RNA)
where:
Base-Base interactions energy: -60.136
where: short stacking energy: -40.895
Base-Backbone interact. energy: -1.855
local terms energy: -53.394101
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -140.210616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.210616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.210616 (E_RNA)
where:
Base-Base interactions energy: -84.310
where: short stacking energy: -45.649
Base-Backbone interact. energy: -0.112
local terms energy: -55.788745
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -12.957
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: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -98.866257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.866257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.866257 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.042
local terms energy: -61.334821
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -4.765
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: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.785170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785170 (E_RNA)
where:
Base-Base interactions energy: -37.830
where: short stacking energy: -35.386
Base-Backbone interact. energy: -0.009
local terms energy: -54.946639
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -80.204547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204547 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.136
local terms energy: -49.555625
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -75.449876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449876 (E_RNA)
where:
Base-Base interactions energy: -34.439
where: short stacking energy: -22.562
Base-Backbone interact. energy: -0.032
local terms energy: -40.979383
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -199.905093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.905093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.905093 (E_RNA)
where:
Base-Base interactions energy: -115.452
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.421
local terms energy: -84.031867
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -201.211879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.211879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.211879 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -75.244
Base-Backbone interact. energy: -0.427
local terms energy: -79.530154
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -189.619445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.619445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.619445 (E_RNA)
where:
Base-Base interactions energy: -112.906
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.240
local terms energy: -76.472592
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -110.920820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.920820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.920820 (E_RNA)
where:
Base-Base interactions energy: -53.178
where: short stacking energy: -33.723
Base-Backbone interact. energy: 2.122
local terms energy: -59.865308
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -115.076934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.076934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.076934 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -42.512
Base-Backbone interact. energy: -0.170
local terms energy: -60.155527
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -134.832816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.832816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.832816 (E_RNA)
where:
Base-Base interactions energy: -73.186
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.215
local terms energy: -61.431995
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -4.127
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -97.688377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.688377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.688377 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -31.066
Base-Backbone interact. energy: 0.119
local terms energy: -55.396510
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.014
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: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -79.106419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.106419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.106419 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.254
local terms energy: -44.953347
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -9.844
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: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -115.074271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.074271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.074271 (E_RNA)
where:
Base-Base interactions energy: -61.018
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.223
local terms energy: -53.832874
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -6.243
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -3.929
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: 309
Temperature: 1.350000
Total energy: -71.162437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.162437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.162437 (E_RNA)
where:
Base-Base interactions energy: -30.329
where: short stacking energy: -24.594
Base-Backbone interact. energy: -0.288
local terms energy: -40.545063
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -8.637
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: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -205.770053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.770053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.770053 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.330
local terms energy: -78.671188
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -202.389718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.389718 (E_RNA)
where:
Base-Base interactions energy: -123.823
where: short stacking energy: -74.517
Base-Backbone interact. energy: -0.000
local terms energy: -78.566448
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -188.331753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.331753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.331753 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.005
local terms energy: -70.992138
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -116.581780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.581780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.581780 (E_RNA)
where:
Base-Base interactions energy: -60.178
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.022
local terms energy: -56.382430
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -12.235
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -142.514009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.514009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.514009 (E_RNA)
where:
Base-Base interactions energy: -83.160
where: short stacking energy: -33.214
Base-Backbone interact. energy: 1.978
local terms energy: -61.332931
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -106.618060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.618060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.618060 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.320
local terms energy: -61.142308
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.281
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -92.526393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526393 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.001
local terms energy: -57.976820
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.694
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: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -86.677585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677585 (E_RNA)
where:
Base-Base interactions energy: -31.942
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.784
local terms energy: -53.951625
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -86.716172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.716172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.716172 (E_RNA)
where:
Base-Base interactions energy: -30.356
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.250
local terms energy: -56.110159
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -1.236
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: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -72.905556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.905556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.905556 (E_RNA)
where:
Base-Base interactions energy: -28.657
where: short stacking energy: -24.300
Base-Backbone interact. energy: 0.847
local terms energy: -45.095241
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: 3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -202.598885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.598885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598885 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.123
local terms energy: -81.369200
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -192.366142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366142 (E_RNA)
where:
Base-Base interactions energy: -117.819
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.083
local terms energy: -74.463880
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -190.452881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.452881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.452881 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.212
local terms energy: -76.873911
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -150.865526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.865526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.865526 (E_RNA)
where:
Base-Base interactions energy: -89.589
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.198
local terms energy: -61.077803
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -8.775
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: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -110.011348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011348 (E_RNA)
where:
Base-Base interactions energy: -42.151
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.009
local terms energy: -67.851584
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -100.663998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663998 (E_RNA)
where:
Base-Base interactions energy: -39.612
where: short stacking energy: -38.051
Base-Backbone interact. energy: 0.100
local terms energy: -61.151795
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -91.066624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066624 (E_RNA)
where:
Base-Base interactions energy: -41.927
where: short stacking energy: -27.640
Base-Backbone interact. energy: -0.415
local terms energy: -48.724820
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -3.935
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -91.233589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.233589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.233589 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.017
local terms energy: -53.992967
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -7.008
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: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -76.085273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.085273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.085273 (E_RNA)
where:
Base-Base interactions energy: -34.269
where: short stacking energy: -34.802
Base-Backbone interact. energy: 2.434
local terms energy: -44.250425
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -81.548988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548988 (E_RNA)
where:
Base-Base interactions energy: -28.685
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.086
local terms energy: -52.778278
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -198.821776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.821776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821776 (E_RNA)
where:
Base-Base interactions energy: -121.296
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.009
local terms energy: -77.516330
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -197.687304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.687304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.687304 (E_RNA)
where:
Base-Base interactions energy: -127.417
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.020
local terms energy: -70.250245
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -191.869296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869296 (E_RNA)
where:
Base-Base interactions energy: -119.950
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.002
local terms energy: -71.916753
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -168.933245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.933245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.933245 (E_RNA)
where:
Base-Base interactions energy: -105.950
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.038
local terms energy: -62.944827
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -111.623195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.623195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.623195 (E_RNA)
where:
Base-Base interactions energy: -46.993
where: short stacking energy: -46.993
Base-Backbone interact. energy: -0.122
local terms energy: -64.508378
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -99.410502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410502 (E_RNA)
where:
Base-Base interactions energy: -53.799
where: short stacking energy: -38.343
Base-Backbone interact. energy: -0.062
local terms energy: -45.549596
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -1.594
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -94.702811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.702811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.702811 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -32.782
Base-Backbone interact. energy: -0.087
local terms energy: -61.834032
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -80.475209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.475209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.475209 (E_RNA)
where:
Base-Base interactions energy: -25.308
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.457
local terms energy: -54.710291
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -90.680258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.680258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.680258 (E_RNA)
where:
Base-Base interactions energy: -31.329
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.150
local terms energy: -59.201453
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -74.904722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.904722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.904722 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -17.660
Base-Backbone interact. energy: 0.852
local terms energy: -40.771084
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: 5.469
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: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -204.562930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.562930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.562930 (E_RNA)
where:
Base-Base interactions energy: -119.302
where: short stacking energy: -64.198
Base-Backbone interact. energy: 0.716
local terms energy: -85.976850
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -193.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.941642 (E_RNA)
where:
Base-Base interactions energy: -120.962
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.469
local terms energy: -72.510777
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -188.204725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.204725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.204725 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.991
local terms energy: -77.178642
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -166.808963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.808963 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -51.274
Base-Backbone interact. energy: -0.141
local terms energy: -68.633216
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -12.118
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -105.999534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999534 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -41.769
Base-Backbone interact. energy: -0.025
local terms energy: -59.204362
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -95.157079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.157079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.157079 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.097
local terms energy: -57.357512
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -95.200472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200472 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -37.199
Base-Backbone interact. energy: -0.084
local terms energy: -51.415920
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -82.777875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.777875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.777875 (E_RNA)
where:
Base-Base interactions energy: -36.006
where: short stacking energy: -26.032
Base-Backbone interact. energy: 3.256
local terms energy: -50.027277
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -83.841926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.841926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.841926 (E_RNA)
where:
Base-Base interactions energy: -28.379
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.246
local terms energy: -55.216885
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -8.593
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: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -86.396389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396389 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -25.899
Base-Backbone interact. energy: -0.111
local terms energy: -49.075147
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -200.335567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.335567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335567 (E_RNA)
where:
Base-Base interactions energy: -119.323
where: short stacking energy: -71.480
Base-Backbone interact. energy: -1.452
local terms energy: -79.560776
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -194.364937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.364937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.364937 (E_RNA)
where:
Base-Base interactions energy: -117.418
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.755
local terms energy: -76.192107
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -18.512
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: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -178.925968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925968 (E_RNA)
where:
Base-Base interactions energy: -109.035
where: short stacking energy: -53.778
Base-Backbone interact. energy: 0.077
local terms energy: -69.967791
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -173.004610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.004610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.004610 (E_RNA)
where:
Base-Base interactions energy: -111.702
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.177
local terms energy: -61.125928
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -15.819
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: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -116.686900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.686900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.686900 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.978
local terms energy: -70.092625
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -16.046
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: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -104.839074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.839074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.839074 (E_RNA)
where:
Base-Base interactions energy: -47.412
where: short stacking energy: -44.441
Base-Backbone interact. energy: -0.063
local terms energy: -57.363959
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.290
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: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -87.757243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757243 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -34.409
Base-Backbone interact. energy: 0.442
local terms energy: -53.032642
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -3.599
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: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -91.596828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596828 (E_RNA)
where:
Base-Base interactions energy: -38.063
where: short stacking energy: -37.049
Base-Backbone interact. energy: 0.537
local terms energy: -54.070654
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -86.495466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.495466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.495466 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -24.529
Base-Backbone interact. energy: -0.224
local terms energy: -54.150756
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -77.887194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.887194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.887194 (E_RNA)
where:
Base-Base interactions energy: -26.919
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.121
local terms energy: -50.847561
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -201.156414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.156414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.156414 (E_RNA)
where:
Base-Base interactions energy: -121.884
where: short stacking energy: -71.259
Base-Backbone interact. energy: -0.689
local terms energy: -78.583262
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -196.828602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.828602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.828602 (E_RNA)
where:
Base-Base interactions energy: -125.774
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.107
local terms energy: -70.948394
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -162.872199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.872199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.872199 (E_RNA)
where:
Base-Base interactions energy: -106.137
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.033
local terms energy: -56.702271
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -9.089
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -190.449090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.449090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.449090 (E_RNA)
where:
Base-Base interactions energy: -116.389
where: short stacking energy: -67.402
Base-Backbone interact. energy: 0.247
local terms energy: -74.307246
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -19.326
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: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -109.660266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.660266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.660266 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.039
local terms energy: -67.063674
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -92.071295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.071295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.071295 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.028
local terms energy: -49.952107
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: 2.273
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: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -87.204668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204668 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.108
local terms energy: -53.379513
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -8.183
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: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -76.704606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.704606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.704606 (E_RNA)
where:
Base-Base interactions energy: -26.269
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.107
local terms energy: -50.328676
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -6.544
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: 315
Temperature: 1.300000
Total energy: -86.558035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.558035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.558035 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -18.777
Base-Backbone interact. energy: -0.771
local terms energy: -48.030146
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -3.094
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: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -76.256217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.256217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.256217 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.457
local terms energy: -50.364511
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -204.583821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.583821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.583821 (E_RNA)
where:
Base-Base interactions energy: -128.979
where: short stacking energy: -78.400
Base-Backbone interact. energy: -0.006
local terms energy: -75.598081
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -194.674143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.674143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.674143 (E_RNA)
where:
Base-Base interactions energy: -121.567
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.099
local terms energy: -73.007757
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -15.772
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -189.063623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.063623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.063623 (E_RNA)
where:
Base-Base interactions energy: -116.040
where: short stacking energy: -63.039
Base-Backbone interact. energy: 0.382
local terms energy: -73.405644
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -172.434264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434264 (E_RNA)
where:
Base-Base interactions energy: -114.974
where: short stacking energy: -41.008
Base-Backbone interact. energy: -0.313
local terms energy: -57.147693
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -6.623
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: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -109.234059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.234059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.234059 (E_RNA)
where:
Base-Base interactions energy: -46.357
where: short stacking energy: -36.942
Base-Backbone interact. energy: -0.183
local terms energy: -62.693607
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -110.332222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.332222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.332222 (E_RNA)
where:
Base-Base interactions energy: -54.530
where: short stacking energy: -42.388
Base-Backbone interact. energy: 1.235
local terms energy: -57.036732
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -85.266156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266156 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.434
local terms energy: -54.850821
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -85.163797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163797 (E_RNA)
where:
Base-Base interactions energy: -32.530
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.013
local terms energy: -52.621291
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -10.098
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -76.351136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351136 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.775
local terms energy: -47.071629
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -76.890010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.890010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.890010 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -25.402
Base-Backbone interact. energy: -0.119
local terms energy: -51.368996
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -208.128798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.128798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.128798 (E_RNA)
where:
Base-Base interactions energy: -122.171
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.006
local terms energy: -85.951672
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -195.733901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.733901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733901 (E_RNA)
where:
Base-Base interactions energy: -117.136
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.060
local terms energy: -78.538451
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -190.689329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.689329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.689329 (E_RNA)
where:
Base-Base interactions energy: -114.435
where: short stacking energy: -63.001
Base-Backbone interact. energy: 0.671
local terms energy: -76.926001
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -145.959080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.959080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.959080 (E_RNA)
where:
Base-Base interactions energy: -91.978
where: short stacking energy: -26.597
Base-Backbone interact. energy: 1.450
local terms energy: -55.431421
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.005
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: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -118.168756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.168756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.168756 (E_RNA)
where:
Base-Base interactions energy: -58.647
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.104
local terms energy: -59.417845
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -111.362806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.362806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.362806 (E_RNA)
where:
Base-Base interactions energy: -54.407
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.104
local terms energy: -56.852066
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -95.567258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.567258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.567258 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.036
local terms energy: -58.649756
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -95.008725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.008725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.008725 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.629
Base-Backbone interact. energy: -0.112
local terms energy: -57.075059
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -7.976
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: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -79.477065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.477065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.477065 (E_RNA)
where:
Base-Base interactions energy: -29.613
where: short stacking energy: -24.760
Base-Backbone interact. energy: 0.454
local terms energy: -50.318091
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -88.540695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540695 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.034
local terms energy: -56.334896
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -199.246058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.246058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.246058 (E_RNA)
where:
Base-Base interactions energy: -120.834
where: short stacking energy: -66.368
Base-Backbone interact. energy: -0.105
local terms energy: -78.306465
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -12.669
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: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -190.848752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.848752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.848752 (E_RNA)
where:
Base-Base interactions energy: -128.138
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.068
local terms energy: -62.642780
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -187.487439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.487439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.487439 (E_RNA)
where:
Base-Base interactions energy: -114.415
where: short stacking energy: -65.648
Base-Backbone interact. energy: -0.240
local terms energy: -72.832203
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.033
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: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -139.397065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.397065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.397065 (E_RNA)
where:
Base-Base interactions energy: -84.320
where: short stacking energy: -35.081
Base-Backbone interact. energy: -1.116
local terms energy: -53.960505
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -112.872379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.872379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.872379 (E_RNA)
where:
Base-Base interactions energy: -55.406
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.008
local terms energy: -57.457841
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -98.675904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.675904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.675904 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.136
local terms energy: -62.262359
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -89.177350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.177350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.177350 (E_RNA)
where:
Base-Base interactions energy: -41.773
where: short stacking energy: -41.773
Base-Backbone interact. energy: -0.120
local terms energy: -47.284199
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -83.451370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.451370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.451370 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -29.465
Base-Backbone interact. energy: -0.081
local terms energy: -51.229004
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -3.595
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -83.126073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126073 (E_RNA)
where:
Base-Base interactions energy: -41.961
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.361
local terms energy: -40.804269
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -86.530307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.530307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.530307 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.041
local terms energy: -56.740031
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -200.549067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.549067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.549067 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -71.152
Base-Backbone interact. energy: -1.296
local terms energy: -79.241018
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -196.408157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.408157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.408157 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -60.329
Base-Backbone interact. energy: -0.633
local terms energy: -65.963729
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -12.208
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -186.058231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.058231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.058231 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.011
local terms energy: -70.848807
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -143.620095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.620095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.620095 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -33.496
Base-Backbone interact. energy: -1.180
local terms energy: -58.793620
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -113.300499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.300499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.300499 (E_RNA)
where:
Base-Base interactions energy: -49.737
where: short stacking energy: -49.737
Base-Backbone interact. energy: -0.085
local terms energy: -63.478167
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -10.074
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: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -92.035032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.035032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.035032 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -30.360
Base-Backbone interact. energy: -0.102
local terms energy: -55.409006
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -92.471219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.471219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.471219 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -39.180
Base-Backbone interact. energy: -0.048
local terms energy: -53.242840
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -79.617682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.617682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.617682 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.041
local terms energy: -48.563345
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -1.788
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: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -93.052312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.052312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.052312 (E_RNA)
where:
Base-Base interactions energy: -45.146
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.171
local terms energy: -47.735775
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -90.415763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415763 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -41.320
Base-Backbone interact. energy: 1.301
local terms energy: -50.396756
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -7.126
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: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -202.446889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.446889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.446889 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.056
local terms energy: -72.240240
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -192.158931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.158931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.158931 (E_RNA)
where:
Base-Base interactions energy: -115.472
where: short stacking energy: -60.010
Base-Backbone interact. energy: -0.431
local terms energy: -76.255835
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -185.268510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.268510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.268510 (E_RNA)
where:
Base-Base interactions energy: -111.033
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.507
local terms energy: -73.728342
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -147.555807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.555807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.555807 (E_RNA)
where:
Base-Base interactions energy: -86.659
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.384
local terms energy: -60.512866
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -116.783090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.783090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.783090 (E_RNA)
where:
Base-Base interactions energy: -60.826
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.313
local terms energy: -55.644277
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -105.290804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.290804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.290804 (E_RNA)
where:
Base-Base interactions energy: -45.916
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.109
local terms energy: -59.266005
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -95.354896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354896 (E_RNA)
where:
Base-Base interactions energy: -45.447
where: short stacking energy: -43.893
Base-Backbone interact. energy: -0.082
local terms energy: -49.825886
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -9.172
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: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -80.758662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758662 (E_RNA)
where:
Base-Base interactions energy: -31.766
where: short stacking energy: -27.570
Base-Backbone interact. energy: -0.400
local terms energy: -48.592596
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -76.762765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.762765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.762765 (E_RNA)
where:
Base-Base interactions energy: -30.144
where: short stacking energy: -20.001
Base-Backbone interact. energy: -0.080
local terms energy: -46.538413
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -6.336
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: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -78.647258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.647258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.647258 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.177
local terms energy: -53.858180
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -192.444030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.444030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.444030 (E_RNA)
where:
Base-Base interactions energy: -126.820
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.071
local terms energy: -65.553116
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -196.197563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.197563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.197563 (E_RNA)
where:
Base-Base interactions energy: -119.135
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.074
local terms energy: -76.988590
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -187.242483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.242483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.242483 (E_RNA)
where:
Base-Base interactions energy: -113.132
where: short stacking energy: -63.033
Base-Backbone interact. energy: 0.206
local terms energy: -74.315945
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -145.766834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.766834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.766834 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.173
local terms energy: -51.482426
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -118.979785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.979785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.979785 (E_RNA)
where:
Base-Base interactions energy: -57.447
where: short stacking energy: -39.516
Base-Backbone interact. energy: -0.106
local terms energy: -61.427095
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -103.914177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.914177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.914177 (E_RNA)
where:
Base-Base interactions energy: -42.620
where: short stacking energy: -30.836
Base-Backbone interact. energy: -0.127
local terms energy: -61.166723
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -9.974
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: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -90.983201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983201 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.011
local terms energy: -54.193969
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.034
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: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -82.117734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.117734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.117734 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -22.614
Base-Backbone interact. energy: 0.333
local terms energy: -45.995397
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -74.692696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.692696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.692696 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.172
local terms energy: -39.490435
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: 5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -77.733273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.733273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.733273 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.182
local terms energy: -46.812583
where:
bonds (distance) C4'-P energy: -6.342
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -187.396511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.396511 (E_RNA)
where:
Base-Base interactions energy: -112.949
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.652
local terms energy: -73.794884
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -16.086
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -191.905691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.905691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.905691 (E_RNA)
where:
Base-Base interactions energy: -116.307
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.027
local terms energy: -75.571811
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -191.931804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931804 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.000
local terms energy: -77.656609
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -154.393021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.393021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.393021 (E_RNA)
where:
Base-Base interactions energy: -97.256
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.200
local terms energy: -56.936819
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -105.224567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.224567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.224567 (E_RNA)
where:
Base-Base interactions energy: -54.462
where: short stacking energy: -47.951
Base-Backbone interact. energy: -0.174
local terms energy: -50.589362
where:
bonds (distance) C4'-P energy: -4.187
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -107.102876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.102876 (E_RNA)
where:
Base-Base interactions energy: -48.732
where: short stacking energy: -48.732
Base-Backbone interact. energy: -0.057
local terms energy: -58.314337
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -13.562
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: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -93.895486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.895486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.895486 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.004
local terms energy: -62.128190
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -73.249744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.249744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.249744 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -27.094
Base-Backbone interact. energy: -0.263
local terms energy: -43.838331
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -84.576930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.576930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.576930 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -30.345
Base-Backbone interact. energy: 0.430
local terms energy: -53.669724
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -84.097047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097047 (E_RNA)
where:
Base-Base interactions energy: -25.333
where: short stacking energy: -25.333
Base-Backbone interact. energy: -0.235
local terms energy: -58.528884
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -190.469352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469352 (E_RNA)
where:
Base-Base interactions energy: -117.526
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.023
local terms energy: -72.920215
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -191.720504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.720504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720504 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -74.795
Base-Backbone interact. energy: -0.035
local terms energy: -76.664001
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.009
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: 323
Temperature: 1.000000
Total energy: -193.336608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.336608 (E_RNA)
where:
Base-Base interactions energy: -115.633
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.042
local terms energy: -77.661547
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.370
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: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -152.312512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.312512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.312512 (E_RNA)
where:
Base-Base interactions energy: -84.364
where: short stacking energy: -50.635
Base-Backbone interact. energy: -0.218
local terms energy: -67.730569
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.887
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: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -100.007064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.007064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.007064 (E_RNA)
where:
Base-Base interactions energy: -43.338
where: short stacking energy: -38.549
Base-Backbone interact. energy: -0.238
local terms energy: -56.431649
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -92.719799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.719799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.719799 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -32.272
Base-Backbone interact. energy: 0.101
local terms energy: -57.696879
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -102.673786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.673786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.673786 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.783
local terms energy: -56.841493
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -11.203
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: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -94.818022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.818022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.818022 (E_RNA)
where:
Base-Base interactions energy: -50.037
where: short stacking energy: -29.406
Base-Backbone interact. energy: -0.048
local terms energy: -44.733652
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -78.104922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.104922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.104922 (E_RNA)
where:
Base-Base interactions energy: -28.239
where: short stacking energy: -26.387
Base-Backbone interact. energy: -0.510
local terms energy: -49.356526
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -85.839893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.839893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.839893 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -22.822
Base-Backbone interact. energy: 1.188
local terms energy: -50.646119
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -182.059647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059647 (E_RNA)
where:
Base-Base interactions energy: -112.397
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.300
local terms energy: -69.362578
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -190.411979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.411979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.411979 (E_RNA)
where:
Base-Base interactions energy: -110.553
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.006
local terms energy: -79.852595
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -179.094983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094983 (E_RNA)
where:
Base-Base interactions energy: -106.119
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.087
local terms energy: -72.889173
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -14.413
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -154.249146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.249146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.249146 (E_RNA)
where:
Base-Base interactions energy: -99.011
where: short stacking energy: -46.228
Base-Backbone interact. energy: 0.553
local terms energy: -55.791246
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -107.772501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.772501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.772501 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.008
local terms energy: -62.555638
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -98.299658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299658 (E_RNA)
where:
Base-Base interactions energy: -40.441
where: short stacking energy: -35.530
Base-Backbone interact. energy: 0.422
local terms energy: -58.281340
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -104.091630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.091630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.091630 (E_RNA)
where:
Base-Base interactions energy: -56.683
where: short stacking energy: -32.473
Base-Backbone interact. energy: -0.323
local terms energy: -47.084965
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -5.720
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: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -83.080136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.080136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.080136 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.150
local terms energy: -51.801462
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -74.573438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.573438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.573438 (E_RNA)
where:
Base-Base interactions energy: -22.798
where: short stacking energy: -10.778
Base-Backbone interact. energy: 1.402
local terms energy: -53.177322
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -76.603003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.603003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.603003 (E_RNA)
where:
Base-Base interactions energy: -32.280
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.291
local terms energy: -44.031797
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -191.515790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.515790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.515790 (E_RNA)
where:
Base-Base interactions energy: -116.763
where: short stacking energy: -66.366
Base-Backbone interact. energy: -0.165
local terms energy: -74.587878
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -186.866722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.866722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.866722 (E_RNA)
where:
Base-Base interactions energy: -120.023
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.331
local terms energy: -66.513087
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.601
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: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -180.207932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.207932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.207932 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.081
local terms energy: -76.889065
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -160.655775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.655775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.655775 (E_RNA)
where:
Base-Base interactions energy: -88.401
where: short stacking energy: -55.081
Base-Backbone interact. energy: -0.098
local terms energy: -72.157433
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -13.683
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: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -116.995509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.995509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.995509 (E_RNA)
where:
Base-Base interactions energy: -56.693
where: short stacking energy: -56.693
Base-Backbone interact. energy: 0.084
local terms energy: -60.386188
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -115.952802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.952802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.952802 (E_RNA)
where:
Base-Base interactions energy: -62.334
where: short stacking energy: -45.501
Base-Backbone interact. energy: -1.293
local terms energy: -52.326195
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -5.245
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -8.634
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: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -88.388963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.388963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.388963 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.071
local terms energy: -44.103985
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -84.856003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.856003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.856003 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.210
local terms energy: -45.287839
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -87.940708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.940708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.940708 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -23.112
Base-Backbone interact. energy: 0.086
local terms energy: -56.634379
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -1.109
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: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -75.452896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.452896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.452896 (E_RNA)
where:
Base-Base interactions energy: -26.307
where: short stacking energy: -19.436
Base-Backbone interact. energy: -1.089
local terms energy: -48.056571
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: 1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -193.236839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.236839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.236839 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.025
local terms energy: -73.951617
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -191.338402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338402 (E_RNA)
where:
Base-Base interactions energy: -115.268
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.018
local terms energy: -76.052990
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -168.344654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.344654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.344654 (E_RNA)
where:
Base-Base interactions energy: -103.198
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.024
local terms energy: -65.122277
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.036
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: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -184.114104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.114104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.114104 (E_RNA)
where:
Base-Base interactions energy: -114.716
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.004
local terms energy: -69.393702
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.259
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: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -103.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.004393 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -37.455
Base-Backbone interact. energy: 1.688
local terms energy: -67.041221
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -6.446
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: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -138.145277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.145277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.145277 (E_RNA)
where:
Base-Base interactions energy: -77.637
where: short stacking energy: -47.471
Base-Backbone interact. energy: -1.986
local terms energy: -58.522019
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -6.224
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: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -91.977393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.977393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.977393 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -31.637
Base-Backbone interact. energy: -0.134
local terms energy: -57.531842
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -9.174
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -86.971396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971396 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.383
local terms energy: -45.771471
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.518064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518064 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.160
local terms energy: -54.409779
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.216
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -80.092230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092230 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.046
local terms energy: -36.241789
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: 2.614
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: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -206.680019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.680019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.680019 (E_RNA)
where:
Base-Base interactions energy: -125.282
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.003
local terms energy: -81.395170
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -171.847454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.847454 (E_RNA)
where:
Base-Base interactions energy: -102.895
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.032
local terms energy: -68.919926
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -17.819
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: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -181.566530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.566530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.566530 (E_RNA)
where:
Base-Base interactions energy: -109.956
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.050
local terms energy: -71.561075
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -115.769774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.769774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.769774 (E_RNA)
where:
Base-Base interactions energy: -50.401
where: short stacking energy: -38.761
Base-Backbone interact. energy: -0.247
local terms energy: -65.122195
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -127.808083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.808083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.808083 (E_RNA)
where:
Base-Base interactions energy: -60.322
where: short stacking energy: -43.365
Base-Backbone interact. energy: -1.220
local terms energy: -66.265570
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -93.366995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366995 (E_RNA)
where:
Base-Base interactions energy: -38.805
where: short stacking energy: -36.034
Base-Backbone interact. energy: -0.553
local terms energy: -54.008809
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -103.372458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.372458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.372458 (E_RNA)
where:
Base-Base interactions energy: -54.432
where: short stacking energy: -50.870
Base-Backbone interact. energy: 0.027
local terms energy: -48.967744
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -1.249
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -94.557004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.557004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.557004 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.267
local terms energy: -43.175191
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -1.464
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: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -94.503647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.503647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.503647 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -36.484
Base-Backbone interact. energy: -0.007
local terms energy: -58.011917
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -5.538
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: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -80.498406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.498406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.498406 (E_RNA)
where:
Base-Base interactions energy: -43.768
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.364
local terms energy: -36.366599
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: 0.212
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: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -194.654103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.654103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.654103 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -71.516
Base-Backbone interact. energy: -0.002
local terms energy: -72.621932
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -185.314350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.314350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.314350 (E_RNA)
where:
Base-Base interactions energy: -111.803
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.005
local terms energy: -73.506492
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -191.348180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.348180 (E_RNA)
where:
Base-Base interactions energy: -119.551
where: short stacking energy: -74.242
Base-Backbone interact. energy: -0.003
local terms energy: -71.793874
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -103.105675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.105675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.105675 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -43.212
Base-Backbone interact. energy: -0.216
local terms energy: -59.677009
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -114.540757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.540757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.540757 (E_RNA)
where:
Base-Base interactions energy: -55.274
where: short stacking energy: -43.444
Base-Backbone interact. energy: -0.095
local terms energy: -59.172025
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -10.472
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: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -91.147231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147231 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.238
local terms energy: -43.939320
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: 0.278
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -99.167200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167200 (E_RNA)
where:
Base-Base interactions energy: -50.987
where: short stacking energy: -35.206
Base-Backbone interact. energy: -0.088
local terms energy: -48.091715
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -4.227
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: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -89.519284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.519284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.519284 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -34.824
Base-Backbone interact. energy: -0.004
local terms energy: -50.784536
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -80.549609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549609 (E_RNA)
where:
Base-Base interactions energy: -27.877
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.041
local terms energy: -52.631604
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -82.732491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732491 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.099
local terms energy: -49.145058
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -189.962489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962489 (E_RNA)
where:
Base-Base interactions energy: -111.196
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.001
local terms energy: -78.765450
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.535
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: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -198.827836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.827836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.827836 (E_RNA)
where:
Base-Base interactions energy: -118.841
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.030
local terms energy: -79.957317
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -178.171539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.171539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.171539 (E_RNA)
where:
Base-Base interactions energy: -103.787
where: short stacking energy: -64.961
Base-Backbone interact. energy: 1.422
local terms energy: -75.806613
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.603
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: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -120.175683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.175683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.175683 (E_RNA)
where:
Base-Base interactions energy: -49.934
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.023
local terms energy: -70.218328
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -102.100959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.100959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.100959 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -37.367
Base-Backbone interact. energy: -0.105
local terms energy: -64.629746
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -114.612911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.612911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.612911 (E_RNA)
where:
Base-Base interactions energy: -52.289
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.680
local terms energy: -61.643937
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -91.921048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.921048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.921048 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.531
local terms energy: -46.880889
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -97.190771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.190771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.190771 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -26.835
Base-Backbone interact. energy: -0.436
local terms energy: -58.860715
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -8.431
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: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -78.797097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.797097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.797097 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.177
local terms energy: -47.134326
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -7.284
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: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -78.873706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.873706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.873706 (E_RNA)
where:
Base-Base interactions energy: -41.484
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.146
local terms energy: -37.243341
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -4.586
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -200.713102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.713102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.713102 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -70.197
Base-Backbone interact. energy: -0.183
local terms energy: -76.195620
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -15.071
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -185.952699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.952699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.952699 (E_RNA)
where:
Base-Base interactions energy: -110.246
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.049
local terms energy: -75.657563
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -18.158
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: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -119.464150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.464150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.464150 (E_RNA)
where:
Base-Base interactions energy: -55.446
where: short stacking energy: -43.164
Base-Backbone interact. energy: -0.052
local terms energy: -63.966069
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -10.471
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: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -167.314658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314658 (E_RNA)
where:
Base-Base interactions energy: -102.320
where: short stacking energy: -51.358
Base-Backbone interact. energy: -0.115
local terms energy: -64.879386
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -12.405
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: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -104.862593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.862593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.862593 (E_RNA)
where:
Base-Base interactions energy: -50.030
where: short stacking energy: -41.684
Base-Backbone interact. energy: 0.078
local terms energy: -54.910712
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -94.483661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.483661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.483661 (E_RNA)
where:
Base-Base interactions energy: -44.031
where: short stacking energy: -44.031
Base-Backbone interact. energy: 0.517
local terms energy: -50.970163
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -88.058987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.058987 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.198
local terms energy: -60.352901
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -92.615901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.615901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.615901 (E_RNA)
where:
Base-Base interactions energy: -41.902
where: short stacking energy: -41.902
Base-Backbone interact. energy: -0.028
local terms energy: -50.685749
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -79.185281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.185281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.185281 (E_RNA)
where:
Base-Base interactions energy: -22.371
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.426
local terms energy: -56.389039
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -11.751
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: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -74.703535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.703535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.703535 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.075
local terms energy: -45.431377
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -7.436
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -207.771252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771252 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.341
local terms energy: -79.881423
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -191.346458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.346458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346458 (E_RNA)
where:
Base-Base interactions energy: -122.413
where: short stacking energy: -72.698
Base-Backbone interact. energy: -0.011
local terms energy: -68.922600
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -137.098133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.098133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.098133 (E_RNA)
where:
Base-Base interactions energy: -70.601
where: short stacking energy: -41.136
Base-Backbone interact. energy: 0.065
local terms energy: -66.562320
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -115.334457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.334457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.334457 (E_RNA)
where:
Base-Base interactions energy: -53.988
where: short stacking energy: -31.716
Base-Backbone interact. energy: -1.285
local terms energy: -60.061789
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -165.740418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.740418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.740418 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.710
local terms energy: -61.895379
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -94.786071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786071 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.394
local terms energy: -55.873588
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -3.915
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: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -92.915507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.915507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.915507 (E_RNA)
where:
Base-Base interactions energy: -42.284
where: short stacking energy: -40.919
Base-Backbone interact. energy: 1.185
local terms energy: -51.816198
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -88.740524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.740524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.740524 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -31.831
Base-Backbone interact. energy: -0.101
local terms energy: -56.807691
where:
bonds (distance) C4'-P energy: -5.417
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -10.524
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -74.742194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.742194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.742194 (E_RNA)
where:
Base-Base interactions energy: -31.051
where: short stacking energy: -21.192
Base-Backbone interact. energy: -0.106
local terms energy: -43.584958
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: 1.583
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: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -82.880580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.880580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.880580 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.070
local terms energy: -44.842139
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -200.385059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.385059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.385059 (E_RNA)
where:
Base-Base interactions energy: -123.385
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.034
local terms energy: -76.966314
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -202.890870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.890870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.890870 (E_RNA)
where:
Base-Base interactions energy: -124.242
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.678
local terms energy: -77.971167
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -142.214324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.214324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.214324 (E_RNA)
where:
Base-Base interactions energy: -70.661
where: short stacking energy: -50.660
Base-Backbone interact. energy: -0.113
local terms energy: -71.440527
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.831
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -119.820336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.820336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.820336 (E_RNA)
where:
Base-Base interactions energy: -58.250
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.078
local terms energy: -61.492595
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -13.934
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: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -130.097863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097863 (E_RNA)
where:
Base-Base interactions energy: -62.688
where: short stacking energy: -35.376
Base-Backbone interact. energy: 0.817
local terms energy: -68.227260
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.815
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -85.904695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904695 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.183
local terms energy: -55.012217
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -110.668069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668069 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -38.291
Base-Backbone interact. energy: -0.359
local terms energy: -56.816785
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -3.891
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: 332
Temperature: 1.250000
Total energy: -93.470002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.470002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.470002 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -38.013
Base-Backbone interact. energy: 0.512
local terms energy: -54.332040
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -94.269414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.269414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.269414 (E_RNA)
where:
Base-Base interactions energy: -38.500
where: short stacking energy: -37.850
Base-Backbone interact. energy: 0.775
local terms energy: -56.544837
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -8.119
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -75.026017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.026017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.026017 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.133
local terms energy: -45.665578
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -193.502262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.502262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.502262 (E_RNA)
where:
Base-Base interactions energy: -118.908
where: short stacking energy: -69.136
Base-Backbone interact. energy: -1.193
local terms energy: -73.401072
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -195.167289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167289 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.362
local terms energy: -71.470143
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -138.383732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.383732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.383732 (E_RNA)
where:
Base-Base interactions energy: -73.710
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.003
local terms energy: -64.670460
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.491
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: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -116.406836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.406836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.406836 (E_RNA)
where:
Base-Base interactions energy: -63.436
where: short stacking energy: -32.106
Base-Backbone interact. energy: -0.150
local terms energy: -52.820981
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -142.477260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.477260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.477260 (E_RNA)
where:
Base-Base interactions energy: -75.413
where: short stacking energy: -49.896
Base-Backbone interact. energy: -0.815
local terms energy: -66.248887
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -81.672026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672026 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -25.804
Base-Backbone interact. energy: -0.300
local terms energy: -53.699248
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -106.892755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.892755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.892755 (E_RNA)
where:
Base-Base interactions energy: -51.450
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.281
local terms energy: -55.161671
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -5.064
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: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -83.992259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.992259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.992259 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.326
local terms energy: -54.494114
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.674081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674081 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.087
local terms energy: -47.549862
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -11.511
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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.891319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.891319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.891319 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.043
local terms energy: -38.207424
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -198.781464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.781464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.781464 (E_RNA)
where:
Base-Base interactions energy: -119.540
where: short stacking energy: -68.390
Base-Backbone interact. energy: -0.037
local terms energy: -79.204375
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -12.640
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -189.456404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.456404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.456404 (E_RNA)
where:
Base-Base interactions energy: -115.894
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.007
local terms energy: -73.555349
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -21.422
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: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -162.788297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.788297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.788297 (E_RNA)
where:
Base-Base interactions energy: -97.734
where: short stacking energy: -53.897
Base-Backbone interact. energy: 0.115
local terms energy: -65.169507
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -136.301417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.301417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.301417 (E_RNA)
where:
Base-Base interactions energy: -72.749
where: short stacking energy: -39.575
Base-Backbone interact. energy: -0.016
local terms energy: -63.536663
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -4.121
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: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -110.778558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.778558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.778558 (E_RNA)
where:
Base-Base interactions energy: -61.659
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.865
local terms energy: -48.253908
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -4.846
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: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -108.059475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.059475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.059475 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.044
local terms energy: -63.679912
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.772
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -94.105878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.105878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.105878 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.381
local terms energy: -45.739162
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -8.313
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -85.510570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.510570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.510570 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.067
local terms energy: -52.681536
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -81.368388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.368388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.368388 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -25.832
Base-Backbone interact. energy: 1.383
local terms energy: -40.816321
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -72.651313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.651313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.651313 (E_RNA)
where:
Base-Base interactions energy: -19.006
where: short stacking energy: -19.006
Base-Backbone interact. energy: -0.136
local terms energy: -53.508845
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -201.294206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294206 (E_RNA)
where:
Base-Base interactions energy: -122.824
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.007
local terms energy: -78.462830
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -21.303
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -191.209888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209888 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.108
local terms energy: -72.394272
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -174.689412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.689412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.689412 (E_RNA)
where:
Base-Base interactions energy: -97.149
where: short stacking energy: -56.280
Base-Backbone interact. energy: -0.885
local terms energy: -76.656225
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -114.268813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.268813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.268813 (E_RNA)
where:
Base-Base interactions energy: -49.155
where: short stacking energy: -41.607
Base-Backbone interact. energy: -0.311
local terms energy: -64.802591
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -7.444
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: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -112.845337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.845337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.845337 (E_RNA)
where:
Base-Base interactions energy: -57.670
where: short stacking energy: -40.086
Base-Backbone interact. energy: 0.832
local terms energy: -56.007690
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -4.275
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: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -101.668487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.668487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.668487 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -37.623
Base-Backbone interact. energy: 2.079
local terms energy: -65.408963
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -90.923132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.923132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.923132 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.364
local terms energy: -52.610531
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -10.561
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: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -81.990927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.990927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.990927 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -24.893
Base-Backbone interact. energy: 1.170
local terms energy: -57.660124
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -81.669761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669761 (E_RNA)
where:
Base-Base interactions energy: -28.077
where: short stacking energy: -27.856
Base-Backbone interact. energy: -0.085
local terms energy: -53.507310
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -78.089174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.089174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.089174 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.554
local terms energy: -50.465657
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -203.869546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.869546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.869546 (E_RNA)
where:
Base-Base interactions energy: -124.735
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.004
local terms energy: -79.131201
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -11.376
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: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -203.804559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804559 (E_RNA)
where:
Base-Base interactions energy: -127.437
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.001
local terms energy: -76.366172
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -165.523939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.523939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.523939 (E_RNA)
where:
Base-Base interactions energy: -95.626
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.688
local terms energy: -69.209747
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -104.934925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.934925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.934925 (E_RNA)
where:
Base-Base interactions energy: -48.891
where: short stacking energy: -48.891
Base-Backbone interact. energy: 0.019
local terms energy: -56.063473
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -9.765
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: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -106.321569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.321569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.321569 (E_RNA)
where:
Base-Base interactions energy: -36.303
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.002
local terms energy: -70.015924
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -10.933
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: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -94.070097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.070097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.070097 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.216
local terms energy: -56.988600
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -99.867813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.867813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.867813 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -38.254
Base-Backbone interact. energy: -0.043
local terms energy: -60.930742
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -93.883863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883863 (E_RNA)
where:
Base-Base interactions energy: -37.954
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.749
local terms energy: -55.181095
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -103.716042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.716042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.716042 (E_RNA)
where:
Base-Base interactions energy: -52.823
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.273
local terms energy: -50.619614
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 0.176
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: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -78.616814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.616814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.616814 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.162
local terms energy: -47.198830
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -200.937328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.937328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.937328 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -79.001
Base-Backbone interact. energy: -0.000
local terms energy: -77.258393
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -178.234849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.234849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.234849 (E_RNA)
where:
Base-Base interactions energy: -107.281
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.004
local terms energy: -70.950003
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.025
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: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -183.926090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.926090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.926090 (E_RNA)
where:
Base-Base interactions energy: -115.570
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.003
local terms energy: -68.353104
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -112.097904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.097904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.097904 (E_RNA)
where:
Base-Base interactions energy: -54.737
where: short stacking energy: -35.841
Base-Backbone interact. energy: -0.113
local terms energy: -57.247638
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -97.244904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.244904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.244904 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.068
local terms energy: -54.339019
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -93.730265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.730265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.730265 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.565
local terms energy: -56.105869
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.085
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -92.781472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.781472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.781472 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -31.083
Base-Backbone interact. energy: -0.093
local terms energy: -57.404862
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -6.855
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: 337
Temperature: 1.250000
Total energy: -85.481901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481901 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.077
local terms energy: -50.610927
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -5.845
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -77.168408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.168408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.168408 (E_RNA)
where:
Base-Base interactions energy: -23.255
where: short stacking energy: -23.255
Base-Backbone interact. energy: -0.005
local terms energy: -53.909189
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.217868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217868 (E_RNA)
where:
Base-Base interactions energy: -31.146
where: short stacking energy: -19.280
Base-Backbone interact. energy: -0.354
local terms energy: -47.718649
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -182.862279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862279 (E_RNA)
where:
Base-Base interactions energy: -109.056
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.704
local terms energy: -73.102471
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -202.499104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.499104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.499104 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.303
local terms energy: -78.314724
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -12.852
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: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -190.848475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.848475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.848475 (E_RNA)
where:
Base-Base interactions energy: -116.306
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.012
local terms energy: -74.529641
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -116.931372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.931372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.931372 (E_RNA)
where:
Base-Base interactions energy: -61.640
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.117
local terms energy: -55.174011
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -3.599
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: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -115.672459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672459 (E_RNA)
where:
Base-Base interactions energy: -55.455
where: short stacking energy: -46.152
Base-Backbone interact. energy: -0.046
local terms energy: -60.171748
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -126.293494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.293494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.293494 (E_RNA)
where:
Base-Base interactions energy: -71.493
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.007
local terms energy: -54.793039
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -6.372
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: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -92.401323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401323 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.637
local terms energy: -54.505468
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -87.854744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.854744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.854744 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -28.283
Base-Backbone interact. energy: 0.709
local terms energy: -58.900203
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -79.919702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.919702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.919702 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.078
local terms energy: -47.040857
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -73.904373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.904373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.904373 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.361
local terms energy: -46.007872
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -188.894176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.894176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.894176 (E_RNA)
where:
Base-Base interactions energy: -116.416
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.673
local terms energy: -71.805245
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -190.384822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384822 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.019
local terms energy: -75.548710
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -201.756257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.756257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.756257 (E_RNA)
where:
Base-Base interactions energy: -138.940
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.557
local terms energy: -62.258372
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -120.956028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.956028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.956028 (E_RNA)
where:
Base-Base interactions energy: -65.089
where: short stacking energy: -43.308
Base-Backbone interact. energy: -0.914
local terms energy: -54.952151
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -103.723670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.723670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.723670 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.075
local terms energy: -60.463817
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -94.311205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.311205 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.097
local terms energy: -66.146400
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.809
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: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -103.870344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870344 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.004
local terms energy: -61.490712
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -7.473
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -86.362301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.362301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.362301 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -25.901
Base-Backbone interact. energy: -0.443
local terms energy: -52.689852
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -0.734
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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -84.732473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.732473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.732473 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -20.956
Base-Backbone interact. energy: -0.219
local terms energy: -55.397785
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.491612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491612 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -22.258
Base-Backbone interact. energy: -0.637
local terms energy: -53.752393
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -191.410328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.410328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.410328 (E_RNA)
where:
Base-Base interactions energy: -113.991
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.055
local terms energy: -77.364252
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -179.910229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.910229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.910229 (E_RNA)
where:
Base-Base interactions energy: -111.892
where: short stacking energy: -44.861
Base-Backbone interact. energy: -0.041
local terms energy: -67.977575
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.932
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -194.373838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.373838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.373838 (E_RNA)
where:
Base-Base interactions energy: -127.738
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.196
local terms energy: -66.439522
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -6.392
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: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -111.281272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.281272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.281272 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.003
local terms energy: -71.431950
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -95.152009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.152009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.152009 (E_RNA)
where:
Base-Base interactions energy: -44.233
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.332
local terms energy: -50.586753
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -99.794520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794520 (E_RNA)
where:
Base-Base interactions energy: -42.402
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.125
local terms energy: -57.267528
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -91.822257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.822257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.822257 (E_RNA)
where:
Base-Base interactions energy: -44.058
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.360
local terms energy: -47.404687
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -86.932491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.932491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.932491 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.088
local terms energy: -58.255800
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -84.854296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854296 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.175
local terms energy: -57.343866
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -5.768
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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -74.601137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601137 (E_RNA)
where:
Base-Base interactions energy: -28.944
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.130
local terms energy: -45.526952
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -196.279681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.279681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.279681 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.061
local terms energy: -80.488339
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -206.557973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.557973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.557973 (E_RNA)
where:
Base-Base interactions energy: -126.411
where: short stacking energy: -61.861
Base-Backbone interact. energy: -2.688
local terms energy: -77.459427
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -16.418
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: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -171.533927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.533927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.533927 (E_RNA)
where:
Base-Base interactions energy: -102.935
where: short stacking energy: -43.104
Base-Backbone interact. energy: -0.413
local terms energy: -68.186071
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -110.553464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553464 (E_RNA)
where:
Base-Base interactions energy: -52.238
where: short stacking energy: -42.933
Base-Backbone interact. energy: -0.244
local terms energy: -58.072150
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -100.488801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.488801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.488801 (E_RNA)
where:
Base-Base interactions energy: -45.962
where: short stacking energy: -40.184
Base-Backbone interact. energy: -0.142
local terms energy: -54.385075
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -84.555666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555666 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.560
local terms energy: -52.175706
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -89.038426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038426 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.911
local terms energy: -56.897578
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -88.215823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.215823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.215823 (E_RNA)
where:
Base-Base interactions energy: -45.985
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.381
local terms energy: -41.849582
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -1.056
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: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -85.107549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107549 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.117
local terms energy: -55.126171
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.404
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -74.679987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.679987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.679987 (E_RNA)
where:
Base-Base interactions energy: -24.790
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.142
local terms energy: -49.747797
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -206.236747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.236747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.236747 (E_RNA)
where:
Base-Base interactions energy: -132.407
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.720
local terms energy: -73.108877
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -200.501039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.501039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.501039 (E_RNA)
where:
Base-Base interactions energy: -123.023
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.459
local terms energy: -77.018668
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -114.420650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.420650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.420650 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.167
local terms energy: -69.529928
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -144.470982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.470982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.470982 (E_RNA)
where:
Base-Base interactions energy: -85.366
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.214
local terms energy: -58.890367
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -99.770572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.770572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.770572 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.405
local terms energy: -59.525941
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -11.677
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -122.066955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.066955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.066955 (E_RNA)
where:
Base-Base interactions energy: -69.048
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.025
local terms energy: -52.993874
where:
bonds (distance) C4'-P energy: -7.587
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -95.411928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.411928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.411928 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.169
local terms energy: -57.364645
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -97.307093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.307093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.307093 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.168
local terms energy: -63.974792
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -82.664502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664502 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.223
local terms energy: -50.375116
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -73.412706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.412706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.412706 (E_RNA)
where:
Base-Base interactions energy: -23.441
where: short stacking energy: -23.401
Base-Backbone interact. energy: -0.006
local terms energy: -49.965186
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -207.000675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.000675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.000675 (E_RNA)
where:
Base-Base interactions energy: -131.734
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.169
local terms energy: -75.097189
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -185.821867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.821867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.821867 (E_RNA)
where:
Base-Base interactions energy: -110.513
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.071
local terms energy: -75.237979
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -109.228757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.228757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.228757 (E_RNA)
where:
Base-Base interactions energy: -44.494
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.111
local terms energy: -64.623960
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -13.208
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: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -154.726227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.726227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726227 (E_RNA)
where:
Base-Base interactions energy: -93.278
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.337
local terms energy: -61.111466
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -108.857563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.857563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.857563 (E_RNA)
where:
Base-Base interactions energy: -52.353
where: short stacking energy: -23.706
Base-Backbone interact. energy: -2.547
local terms energy: -53.957860
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -119.014329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.014329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.014329 (E_RNA)
where:
Base-Base interactions energy: -56.830
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.139
local terms energy: -62.045289
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -103.143144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.143144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.143144 (E_RNA)
where:
Base-Base interactions energy: -49.989
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.106
local terms energy: -53.047328
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -103.263097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.263097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.263097 (E_RNA)
where:
Base-Base interactions energy: -53.951
where: short stacking energy: -42.194
Base-Backbone interact. energy: -0.659
local terms energy: -48.653453
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -83.498083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498083 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -33.298
Base-Backbone interact. energy: -0.093
local terms energy: -49.505955
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.868
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: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -94.049159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049159 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -21.508
Base-Backbone interact. energy: -0.063
local terms energy: -58.827890
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -199.380634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.380634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.380634 (E_RNA)
where:
Base-Base interactions energy: -121.958
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.254
local terms energy: -77.168352
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.181
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: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -207.634343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.634343 (E_RNA)
where:
Base-Base interactions energy: -133.068
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.223
local terms energy: -74.343185
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.694
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: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -169.891950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.891950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.891950 (E_RNA)
where:
Base-Base interactions energy: -93.393
where: short stacking energy: -54.805
Base-Backbone interact. energy: -0.539
local terms energy: -75.960029
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -17.174
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: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -95.142446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142446 (E_RNA)
where:
Base-Base interactions energy: -39.726
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.109
local terms energy: -55.307624
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -98.793429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.793429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.793429 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.793
local terms energy: -58.340210
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -99.695301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.695301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.695301 (E_RNA)
where:
Base-Base interactions energy: -44.042
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.021
local terms energy: -55.632268
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -95.534252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534252 (E_RNA)
where:
Base-Base interactions energy: -43.479
where: short stacking energy: -29.911
Base-Backbone interact. energy: 0.071
local terms energy: -52.126754
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -6.603
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: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -89.849395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849395 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -32.407
Base-Backbone interact. energy: 0.149
local terms energy: -51.896197
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -84.066167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066167 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.108
local terms energy: -47.096148
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -1.711
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: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -76.547802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.547802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.547802 (E_RNA)
where:
Base-Base interactions energy: -30.147
where: short stacking energy: -26.530
Base-Backbone interact. energy: -0.187
local terms energy: -46.214256
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -7.767
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -198.468663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.468663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468663 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.251
local terms energy: -70.389705
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -199.248478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.248478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.248478 (E_RNA)
where:
Base-Base interactions energy: -126.342
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.163
local terms energy: -72.743693
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -166.210706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.210706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.210706 (E_RNA)
where:
Base-Base interactions energy: -96.399
where: short stacking energy: -48.955
Base-Backbone interact. energy: -0.334
local terms energy: -69.477474
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -12.582
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: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -112.561918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.561918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.561918 (E_RNA)
where:
Base-Base interactions energy: -42.458
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.003
local terms energy: -70.100580
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -103.403136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.403136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.403136 (E_RNA)
where:
Base-Base interactions energy: -49.747
where: short stacking energy: -48.490
Base-Backbone interact. energy: -0.275
local terms energy: -53.381650
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -99.858597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858597 (E_RNA)
where:
Base-Base interactions energy: -46.302
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.249
local terms energy: -53.307707
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -89.648234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.648234 (E_RNA)
where:
Base-Base interactions energy: -39.819
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.180
local terms energy: -49.649012
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -3.408
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: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -90.045559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045559 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.513
local terms energy: -54.371566
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -83.925105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.925105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.925105 (E_RNA)
where:
Base-Base interactions energy: -31.693
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.332
local terms energy: -51.900050
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -69.439402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.439402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.439402 (E_RNA)
where:
Base-Base interactions energy: -25.791
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.571
local terms energy: -43.077951
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -4.230
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -206.321899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321899 (E_RNA)
where:
Base-Base interactions energy: -130.625
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.086
local terms energy: -75.611423
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -192.551568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551568 (E_RNA)
where:
Base-Base interactions energy: -113.442
where: short stacking energy: -70.221
Base-Backbone interact. energy: -0.005
local terms energy: -79.104623
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -14.163
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -168.827766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.827766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.827766 (E_RNA)
where:
Base-Base interactions energy: -96.884
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.099
local terms energy: -71.844866
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -126.444168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.444168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.444168 (E_RNA)
where:
Base-Base interactions energy: -67.820
where: short stacking energy: -40.799
Base-Backbone interact. energy: -1.822
local terms energy: -56.802147
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -107.418641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.418641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.418641 (E_RNA)
where:
Base-Base interactions energy: -50.833
where: short stacking energy: -39.791
Base-Backbone interact. energy: 0.487
local terms energy: -57.072763
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -96.304592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.304592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.304592 (E_RNA)
where:
Base-Base interactions energy: -35.375
where: short stacking energy: -35.375
Base-Backbone interact. energy: 0.425
local terms energy: -61.354978
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -8.293
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -87.865614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865614 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -17.638
Base-Backbone interact. energy: -0.640
local terms energy: -40.509636
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: 8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -92.698958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698958 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -33.898
Base-Backbone interact. energy: -0.102
local terms energy: -58.698572
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -6.046
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: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -77.374922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374922 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.331
local terms energy: -48.036778
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -78.663040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.663040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.663040 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.433
local terms energy: -49.374595
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -204.874490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.874490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.874490 (E_RNA)
where:
Base-Base interactions energy: -130.509
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.090
local terms energy: -74.276197
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -187.901356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.901356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.901356 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.001
local terms energy: -70.889792
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -11.537
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: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -179.429067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.429067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.429067 (E_RNA)
where:
Base-Base interactions energy: -118.059
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.073
local terms energy: -61.297339
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -13.701
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: 347
Temperature: 1.050000
Total energy: -109.229179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.229179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.229179 (E_RNA)
where:
Base-Base interactions energy: -50.223
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.018
local terms energy: -58.988003
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -8.548
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: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -92.246127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246127 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -39.974
Base-Backbone interact. energy: -0.098
local terms energy: -51.367557
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.406
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: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -100.255621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.255621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.255621 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.004
local terms energy: -59.724227
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -110.145949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.145949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.145949 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.002
local terms energy: -60.713974
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -9.221
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: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -82.560652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.560652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.560652 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -35.856
Base-Backbone interact. energy: -0.284
local terms energy: -44.161305
where:
bonds (distance) C4'-P energy: -2.792
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -8.788
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: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -76.143616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143616 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.107
local terms energy: -44.426033
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -78.402166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.402166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.402166 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.034
local terms energy: -48.333288
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -200.028171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.028171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.028171 (E_RNA)
where:
Base-Base interactions energy: -121.881
where: short stacking energy: -76.971
Base-Backbone interact. energy: -0.011
local terms energy: -78.136853
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -23.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -201.369008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.369008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.369008 (E_RNA)
where:
Base-Base interactions energy: -128.473
where: short stacking energy: -53.172
Base-Backbone interact. energy: -0.670
local terms energy: -72.226525
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -168.818359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.818359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.818359 (E_RNA)
where:
Base-Base interactions energy: -115.843
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.189
local terms energy: -52.785655
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -119.365696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.365696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.365696 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.195
local terms energy: -66.262353
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -123.491661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.491661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.491661 (E_RNA)
where:
Base-Base interactions energy: -65.794
where: short stacking energy: -44.684
Base-Backbone interact. energy: 0.628
local terms energy: -58.326034
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -124.879311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.879311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.879311 (E_RNA)
where:
Base-Base interactions energy: -56.403
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.012
local terms energy: -68.463563
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -111.825792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.825792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.825792 (E_RNA)
where:
Base-Base interactions energy: -56.740
where: short stacking energy: -42.456
Base-Backbone interact. energy: -0.189
local terms energy: -54.896829
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -82.503291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.503291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.503291 (E_RNA)
where:
Base-Base interactions energy: -24.372
where: short stacking energy: -24.372
Base-Backbone interact. energy: -0.152
local terms energy: -57.979712
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -79.079091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.079091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.079091 (E_RNA)
where:
Base-Base interactions energy: -26.088
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.165
local terms energy: -52.826730
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -91.356203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.356203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.356203 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.118
local terms energy: -51.837114
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -196.049785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.049785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.049785 (E_RNA)
where:
Base-Base interactions energy: -113.574
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.044
local terms energy: -82.431956
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -204.538062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538062 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.935
local terms energy: -74.544118
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -13.291
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: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -162.720028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.720028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.720028 (E_RNA)
where:
Base-Base interactions energy: -94.515
where: short stacking energy: -49.470
Base-Backbone interact. energy: -0.056
local terms energy: -68.149231
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -13.015
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: 349
Temperature: 1.050000
Total energy: -123.481692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.481692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.481692 (E_RNA)
where:
Base-Base interactions energy: -72.585
where: short stacking energy: -46.932
Base-Backbone interact. energy: -0.023
local terms energy: -50.873745
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -7.576
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -98.871741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871741 (E_RNA)
where:
Base-Base interactions energy: -37.600
where: short stacking energy: -32.386
Base-Backbone interact. energy: -0.058
local terms energy: -61.213320
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -91.377622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.377622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.377622 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.190
local terms energy: -50.407065
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -4.111
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: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -93.148560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.148560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.148560 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.021
local terms energy: -46.052467
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.006018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.006018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.006018 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -33.523
Base-Backbone interact. energy: -0.751
local terms energy: -43.577091
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -5.941
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -80.351579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.351579 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.188
local terms energy: -46.255698
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -75.878478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.878478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.878478 (E_RNA)
where:
Base-Base interactions energy: -25.469
where: short stacking energy: -25.469
Base-Backbone interact. energy: -0.239
local terms energy: -50.170265
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -203.180209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.180209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.180209 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -73.406
Base-Backbone interact. energy: -1.469
local terms energy: -79.531262
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -201.168350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168350 (E_RNA)
where:
Base-Base interactions energy: -126.437
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.261
local terms energy: -74.470534
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -183.876086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.876086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.876086 (E_RNA)
where:
Base-Base interactions energy: -118.413
where: short stacking energy: -53.722
Base-Backbone interact. energy: -0.268
local terms energy: -65.194930
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -119.224970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.224970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.224970 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.081
local terms energy: -69.203851
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -97.034963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.034963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.034963 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.709
local terms energy: -59.872635
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -97.885922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.885922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.885922 (E_RNA)
where:
Base-Base interactions energy: -36.118
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.627
local terms energy: -61.140967
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -89.471434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471434 (E_RNA)
where:
Base-Base interactions energy: -49.299
where: short stacking energy: -24.159
Base-Backbone interact. energy: -0.165
local terms energy: -40.007288
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -90.018396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018396 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.150
local terms energy: -56.404863
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -76.733106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.733106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.733106 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.016
local terms energy: -51.162078
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -87.160924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160924 (E_RNA)
where:
Base-Base interactions energy: -34.641
where: short stacking energy: -29.887
Base-Backbone interact. energy: 0.526
local terms energy: -53.045251
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -206.384186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.384186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.384186 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.273
local terms energy: -78.284618
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -18.982
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: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -200.992190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.992190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.992190 (E_RNA)
where:
Base-Base interactions energy: -121.099
where: short stacking energy: -64.608
Base-Backbone interact. energy: -1.263
local terms energy: -78.630717
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -14.736
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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -178.577117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.577117 (E_RNA)
where:
Base-Base interactions energy: -116.635
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.328
local terms energy: -61.614300
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -15.356
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: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -105.971394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.971394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.971394 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -47.144
Base-Backbone interact. energy: -0.162
local terms energy: -58.665855
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -10.543
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: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -117.128205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.128205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.128205 (E_RNA)
where:
Base-Base interactions energy: -53.125
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.282
local terms energy: -63.721011
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -10.873
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: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -118.264506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.264506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.264506 (E_RNA)
where:
Base-Base interactions energy: -52.570
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.846
local terms energy: -64.848654
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -7.655
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: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -92.547255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547255 (E_RNA)
where:
Base-Base interactions energy: -36.302
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.203
local terms energy: -56.042716
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -10.277
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: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -95.685185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.685185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.685185 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.008
local terms energy: -59.445093
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -80.040597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.040597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.040597 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -31.544
Base-Backbone interact. energy: -0.210
local terms energy: -46.121987
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -73.329782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.329782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.329782 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.189
local terms energy: -32.074265
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -2.698
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -209.689999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.689999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.689999 (E_RNA)
where:
Base-Base interactions energy: -131.528
where: short stacking energy: -60.944
Base-Backbone interact. energy: -1.132
local terms energy: -77.029549
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -193.106188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.106188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.106188 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.232
local terms energy: -75.391174
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.303
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: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -164.625466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625466 (E_RNA)
where:
Base-Base interactions energy: -103.455
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.232
local terms energy: -60.937872
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -113.070007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.070007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.070007 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.079
local terms energy: -57.873707
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -93.045198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.045198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.045198 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -33.539
Base-Backbone interact. energy: 1.207
local terms energy: -56.540584
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -105.934766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.934766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.934766 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.453
local terms energy: -57.960905
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -101.564023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.564023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.564023 (E_RNA)
where:
Base-Base interactions energy: -56.063
where: short stacking energy: -33.394
Base-Backbone interact. energy: 0.218
local terms energy: -45.718954
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: 3.300
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: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -83.227034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.227034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.227034 (E_RNA)
where:
Base-Base interactions energy: -22.852
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.282
local terms energy: -60.092641
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -82.399595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.399595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.399595 (E_RNA)
where:
Base-Base interactions energy: -26.644
where: short stacking energy: -26.177
Base-Backbone interact. energy: -0.053
local terms energy: -55.702797
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -3.324
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: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -76.855638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.855638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.855638 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.119
local terms energy: -46.437141
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -210.639215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639215 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.135
local terms energy: -81.612687
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -18.949
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: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -200.010920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.010920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.010920 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -65.174
Base-Backbone interact. energy: 0.337
local terms energy: -83.947256
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -21.999
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -151.819784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.819784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.819784 (E_RNA)
where:
Base-Base interactions energy: -83.975
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.006
local terms energy: -67.838692
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -109.042302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.042302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.042302 (E_RNA)
where:
Base-Base interactions energy: -45.065
where: short stacking energy: -41.171
Base-Backbone interact. energy: -0.048
local terms energy: -63.928713
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -11.363
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: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -98.665080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665080 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -36.103
Base-Backbone interact. energy: -0.684
local terms energy: -60.868621
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -88.134423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134423 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -18.570
Base-Backbone interact. energy: -0.093
local terms energy: -50.893731
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -102.675361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.675361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.675361 (E_RNA)
where:
Base-Base interactions energy: -42.726
where: short stacking energy: -38.533
Base-Backbone interact. energy: -1.030
local terms energy: -58.919365
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -5.693
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: 353
Temperature: 1.250000
Total energy: -103.100018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.100018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.100018 (E_RNA)
where:
Base-Base interactions energy: -49.315
where: short stacking energy: -30.510
Base-Backbone interact. energy: -0.332
local terms energy: -53.453282
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -7.098
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: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -94.893772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.893772 (E_RNA)
where:
Base-Base interactions energy: -45.151
where: short stacking energy: -32.244
Base-Backbone interact. energy: -0.214
local terms energy: -49.528781
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -82.238242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.238242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.238242 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -26.188
Base-Backbone interact. energy: -0.211
local terms energy: -49.398774
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.387
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: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -204.714596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.714596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.714596 (E_RNA)
where:
Base-Base interactions energy: -126.833
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.007
local terms energy: -77.874687
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -19.830
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: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -201.354100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.354100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.354100 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.414
local terms energy: -71.165411
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -156.249329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.249329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.249329 (E_RNA)
where:
Base-Base interactions energy: -93.293
where: short stacking energy: -56.376
Base-Backbone interact. energy: 1.280
local terms energy: -64.236378
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -112.973279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.973279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.973279 (E_RNA)
where:
Base-Base interactions energy: -46.670
where: short stacking energy: -46.670
Base-Backbone interact. energy: -0.090
local terms energy: -66.213604
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -104.550627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.550627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.550627 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.693
local terms energy: -57.007474
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -9.086
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -100.294027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.294027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.294027 (E_RNA)
where:
Base-Base interactions energy: -43.918
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.263
local terms energy: -56.113703
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -4.929
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: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -95.974042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.974042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.974042 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.166
local terms energy: -54.760419
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -80.930356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.930356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.930356 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.009
local terms energy: -53.180864
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -82.563767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563767 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -22.846
Base-Backbone interact. energy: -0.632
local terms energy: -36.929188
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -7.961
flat angles P-C4'-P energy: -6.910
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: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -72.272427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.272427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.272427 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -30.204
Base-Backbone interact. energy: -0.477
local terms energy: -41.591290
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -204.124601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.124601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.124601 (E_RNA)
where:
Base-Base interactions energy: -123.111
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.183
local terms energy: -80.830552
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -20.166
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -200.681610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.681610 (E_RNA)
where:
Base-Base interactions energy: -128.318
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.113
local terms energy: -72.250723
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -145.514933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.514933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.514933 (E_RNA)
where:
Base-Base interactions energy: -77.860
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.329
local terms energy: -67.326844
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -109.652103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652103 (E_RNA)
where:
Base-Base interactions energy: -46.684
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.015
local terms energy: -62.953404
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -106.090701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.090701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.090701 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.042
local terms energy: -67.809097
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -93.452444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.452444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.452444 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -19.905
Base-Backbone interact. energy: -1.365
local terms energy: -58.444037
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -85.645594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.645594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.645594 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.067
local terms energy: -45.617292
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -0.894
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -75.679546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.679546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.679546 (E_RNA)
where:
Base-Base interactions energy: -20.512
where: short stacking energy: -17.409
Base-Backbone interact. energy: 1.631
local terms energy: -56.797954
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -86.560726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.560726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.560726 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -21.847
Base-Backbone interact. energy: -0.913
local terms energy: -51.928655
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -11.664
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: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -82.733624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.733624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.733624 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.064
local terms energy: -50.661961
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -193.156940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.156940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.156940 (E_RNA)
where:
Base-Base interactions energy: -112.413
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.020
local terms energy: -80.723881
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -202.819312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.819312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.819312 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.339
local terms energy: -70.672775
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -123.317053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.317053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.317053 (E_RNA)
where:
Base-Base interactions energy: -56.630
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.106
local terms energy: -66.581530
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -116.858970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.858970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.858970 (E_RNA)
where:
Base-Base interactions energy: -61.849
where: short stacking energy: -41.284
Base-Backbone interact. energy: 0.035
local terms energy: -55.045168
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -102.854774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.854774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.854774 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.014
local terms energy: -63.876117
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -97.115222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.115222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.115222 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.073
local terms energy: -57.457926
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -90.629725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.629725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.629725 (E_RNA)
where:
Base-Base interactions energy: -32.574
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.124
local terms energy: -57.931722
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -9.671
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: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -91.897295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.897295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.897295 (E_RNA)
where:
Base-Base interactions energy: -35.712
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.283
local terms energy: -55.902837
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -83.762448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762448 (E_RNA)
where:
Base-Base interactions energy: -28.264
where: short stacking energy: -20.759
Base-Backbone interact. energy: -0.173
local terms energy: -55.326072
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -80.788122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.788122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.788122 (E_RNA)
where:
Base-Base interactions energy: -24.681
where: short stacking energy: -24.572
Base-Backbone interact. energy: 0.505
local terms energy: -56.612210
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -4.777
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -186.559610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559610 (E_RNA)
where:
Base-Base interactions energy: -112.344
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.066
local terms energy: -74.149703
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -201.930562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.930562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.930562 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.041
local terms energy: -69.944060
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.742
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -121.125103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.125103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.125103 (E_RNA)
where:
Base-Base interactions energy: -61.837
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.128
local terms energy: -59.159886
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -110.966241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.966241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.966241 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.008
local terms energy: -66.242584
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -126.125559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.125559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.125559 (E_RNA)
where:
Base-Base interactions energy: -65.042
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.183
local terms energy: -60.900275
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -8.860
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: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -92.991470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991470 (E_RNA)
where:
Base-Base interactions energy: -38.910
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.660
local terms energy: -53.421422
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -103.746385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.746385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.746385 (E_RNA)
where:
Base-Base interactions energy: -42.170
where: short stacking energy: -33.872
Base-Backbone interact. energy: -0.004
local terms energy: -61.572220
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -89.957060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.957060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.957060 (E_RNA)
where:
Base-Base interactions energy: -49.674
where: short stacking energy: -37.672
Base-Backbone interact. energy: -0.093
local terms energy: -40.189288
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -7.492
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -79.080153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080153 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -32.147
Base-Backbone interact. energy: -0.041
local terms energy: -40.622947
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -6.597
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: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -81.027096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027096 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -24.507
Base-Backbone interact. energy: -0.127
local terms energy: -53.570992
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -205.822816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.822816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.822816 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.096
local terms energy: -74.138520
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.990
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: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -189.560329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560329 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -64.281
Base-Backbone interact. energy: 0.148
local terms energy: -68.672078
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -11.954
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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -110.673004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.673004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.673004 (E_RNA)
where:
Base-Base interactions energy: -45.696
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.099
local terms energy: -64.878088
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -114.966916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.966916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.966916 (E_RNA)
where:
Base-Base interactions energy: -58.850
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.073
local terms energy: -56.044002
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -112.748757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.748757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.748757 (E_RNA)
where:
Base-Base interactions energy: -64.940
where: short stacking energy: -37.299
Base-Backbone interact. energy: 1.782
local terms energy: -49.590369
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -3.016
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: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -101.717689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.717689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.717689 (E_RNA)
where:
Base-Base interactions energy: -53.004
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.062
local terms energy: -48.651287
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -84.231394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231394 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -32.712
Base-Backbone interact. energy: -0.255
local terms energy: -51.263844
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -11.225
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: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -88.463662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.463662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.463662 (E_RNA)
where:
Base-Base interactions energy: -44.734
where: short stacking energy: -24.410
Base-Backbone interact. energy: 0.813
local terms energy: -44.542541
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -10.835
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -77.343724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.343724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.343724 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -28.134
Base-Backbone interact. energy: -0.840
local terms energy: -43.837546
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.450013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450013 (E_RNA)
where:
Base-Base interactions energy: -25.208
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.273
local terms energy: -55.969823
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -199.515560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.515560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.515560 (E_RNA)
where:
Base-Base interactions energy: -122.982
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.012
local terms energy: -76.521275
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -188.132708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.132708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.132708 (E_RNA)
where:
Base-Base interactions energy: -111.748
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.002
local terms energy: -76.382993
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -118.502844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.502844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.502844 (E_RNA)
where:
Base-Base interactions energy: -59.794
where: short stacking energy: -47.714
Base-Backbone interact. energy: -1.633
local terms energy: -57.075725
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -11.966
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: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -125.426861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.426861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.426861 (E_RNA)
where:
Base-Base interactions energy: -71.887
where: short stacking energy: -33.808
Base-Backbone interact. energy: -0.062
local terms energy: -53.478662
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -100.094370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.094370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.094370 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.007
local terms energy: -58.606305
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -5.433
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: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -89.875439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.875439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.875439 (E_RNA)
where:
Base-Base interactions energy: -45.411
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.171
local terms energy: -44.292758
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: 5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -100.279907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279907 (E_RNA)
where:
Base-Base interactions energy: -45.578
where: short stacking energy: -24.858
Base-Backbone interact. energy: -0.204
local terms energy: -54.498319
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -88.577100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.577100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.577100 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.026
local terms energy: -55.198716
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -77.361274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.361274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.361274 (E_RNA)
where:
Base-Base interactions energy: -23.719
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.306
local terms energy: -53.336436
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.919
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -89.901855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.901855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.901855 (E_RNA)
where:
Base-Base interactions energy: -43.872
where: short stacking energy: -34.396
Base-Backbone interact. energy: 0.016
local terms energy: -46.046083
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -1.787
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: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -196.540604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.540604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.540604 (E_RNA)
where:
Base-Base interactions energy: -118.358
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.075
local terms energy: -78.108168
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -19.675
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -197.697898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.697898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.697898 (E_RNA)
where:
Base-Base interactions energy: -131.491
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.042
local terms energy: -66.164619
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.381
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: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -117.633307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.633307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.633307 (E_RNA)
where:
Base-Base interactions energy: -57.504
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.136
local terms energy: -59.993169
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -108.880640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.880640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.880640 (E_RNA)
where:
Base-Base interactions energy: -48.572
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.009
local terms energy: -60.299745
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -100.826773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.826773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.826773 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.631
local terms energy: -60.677021
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -91.423745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423745 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.110
local terms energy: -54.676723
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -9.094
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: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -87.032500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032500 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -33.337
Base-Backbone interact. energy: -0.969
local terms energy: -42.392621
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -89.806104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.806104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.806104 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -33.214
Base-Backbone interact. energy: 0.211
local terms energy: -53.290279
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -83.221207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221207 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -17.472
Base-Backbone interact. energy: 0.590
local terms energy: -43.993441
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -84.082358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.082358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.082358 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -23.832
Base-Backbone interact. energy: -0.069
local terms energy: -49.256754
where:
bonds (distance) C4'-P energy: -3.659
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.496
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: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -193.688230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.688230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.688230 (E_RNA)
where:
Base-Base interactions energy: -114.898
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.813
local terms energy: -77.977626
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -191.026827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.026827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.026827 (E_RNA)
where:
Base-Base interactions energy: -111.634
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.030
local terms energy: -79.363687
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -120.547809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.547809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.547809 (E_RNA)
where:
Base-Base interactions energy: -56.908
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.020
local terms energy: -63.619513
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -14.082
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: 361
Temperature: 1.050000
Total energy: -110.391844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.391844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.391844 (E_RNA)
where:
Base-Base interactions energy: -46.578
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.012
local terms energy: -63.801289
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -14.581
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: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -107.930847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.930847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.930847 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -34.828
Base-Backbone interact. energy: -0.067
local terms energy: -60.352923
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -8.280
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -90.107421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.107421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.107421 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -20.146
Base-Backbone interact. energy: -0.437
local terms energy: -59.510334
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -100.973991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.973991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.973991 (E_RNA)
where:
Base-Base interactions energy: -45.837
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.407
local terms energy: -54.730738
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -83.056235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056235 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.260
local terms energy: -50.163871
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -88.725294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.725294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.725294 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -30.572
Base-Backbone interact. energy: -0.115
local terms energy: -46.458008
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -2.644
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: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -84.436502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436502 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.088
local terms energy: -48.378212
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -4.464
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: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -195.516340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.516340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.516340 (E_RNA)
where:
Base-Base interactions energy: -120.617
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.001
local terms energy: -74.898835
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -200.772354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.772354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772354 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.525
local terms energy: -76.356730
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -114.394571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.394571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.394571 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.051
local terms energy: -68.615730
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -11.924
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: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -109.841281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.841281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.841281 (E_RNA)
where:
Base-Base interactions energy: -46.784
where: short stacking energy: -45.038
Base-Backbone interact. energy: -0.060
local terms energy: -62.997365
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -103.837378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.837378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.837378 (E_RNA)
where:
Base-Base interactions energy: -44.524
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.206
local terms energy: -59.107512
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -111.007791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.007791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.007791 (E_RNA)
where:
Base-Base interactions energy: -50.857
where: short stacking energy: -36.057
Base-Backbone interact. energy: -0.288
local terms energy: -59.863655
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -84.111996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.111996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.111996 (E_RNA)
where:
Base-Base interactions energy: -31.986
where: short stacking energy: -30.609
Base-Backbone interact. energy: -1.187
local terms energy: -50.939337
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -6.040
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -81.964953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964953 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.130
local terms energy: -51.838515
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -8.984
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -83.300944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300944 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -28.547
Base-Backbone interact. energy: -1.358
local terms energy: -52.281119
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.670791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670791 (E_RNA)
where:
Base-Base interactions energy: -25.983
where: short stacking energy: -25.983
Base-Backbone interact. energy: -0.077
local terms energy: -51.610656
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -7.542
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: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -186.269556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.269556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.269556 (E_RNA)
where:
Base-Base interactions energy: -116.710
where: short stacking energy: -61.120
Base-Backbone interact. energy: 0.512
local terms energy: -70.071710
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -15.258
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: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -192.714258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.714258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.714258 (E_RNA)
where:
Base-Base interactions energy: -114.452
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.262104
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -18.473
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: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -114.917527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.917527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.917527 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.013
local terms energy: -66.236525
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -108.438533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.438533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.438533 (E_RNA)
where:
Base-Base interactions energy: -43.359
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.128
local terms energy: -64.951642
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -96.473084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.473084 (E_RNA)
where:
Base-Base interactions energy: -47.595
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.004
local terms energy: -48.874051
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -119.833309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.833309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.833309 (E_RNA)
where:
Base-Base interactions energy: -59.708
where: short stacking energy: -38.324
Base-Backbone interact. energy: -0.218
local terms energy: -59.907480
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -103.255308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255308 (E_RNA)
where:
Base-Base interactions energy: -52.553
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.087
local terms energy: -50.615479
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -9.006
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -85.555948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.555948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.555948 (E_RNA)
where:
Base-Base interactions energy: -37.679
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.070
local terms energy: -47.807343
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -76.875961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875961 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.011
local terms energy: -44.225068
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -72.061255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.061255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.061255 (E_RNA)
where:
Base-Base interactions energy: -21.324
where: short stacking energy: -21.279
Base-Backbone interact. energy: -0.055
local terms energy: -50.683024
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -11.534
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: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -207.092270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.092270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.092270 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -77.820
Base-Backbone interact. energy: -2.471
local terms energy: -78.215410
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -194.881721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.881721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.881721 (E_RNA)
where:
Base-Base interactions energy: -114.335
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.018
local terms energy: -80.529141
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -112.029070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.029070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.029070 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.009
local terms energy: -58.944637
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -7.693
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -109.254870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.254870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.254870 (E_RNA)
where:
Base-Base interactions energy: -48.862
where: short stacking energy: -34.983
Base-Backbone interact. energy: 0.275
local terms energy: -60.667258
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -6.244
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -121.295654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.295654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.295654 (E_RNA)
where:
Base-Base interactions energy: -66.911
where: short stacking energy: -45.556
Base-Backbone interact. energy: -0.185
local terms energy: -54.200011
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -86.531831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531831 (E_RNA)
where:
Base-Base interactions energy: -40.246
where: short stacking energy: -40.246
Base-Backbone interact. energy: -0.042
local terms energy: -46.243145
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -6.927
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: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -88.817531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.817531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.817531 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -30.180
Base-Backbone interact. energy: -0.084
local terms energy: -54.254016
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -83.110853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.110853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.110853 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -21.487
Base-Backbone interact. energy: -0.351
local terms energy: -52.416403
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -71.904133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904133 (E_RNA)
where:
Base-Base interactions energy: -26.796
where: short stacking energy: -16.748
Base-Backbone interact. energy: -0.374
local terms energy: -44.733301
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -10.434
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: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -73.709164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.709164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.709164 (E_RNA)
where:
Base-Base interactions energy: -23.252
where: short stacking energy: -21.276
Base-Backbone interact. energy: 2.149
local terms energy: -52.606146
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -199.244271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244271 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -74.287
Base-Backbone interact. energy: -1.010
local terms energy: -74.139222
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -195.631226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.631226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631226 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -66.642
Base-Backbone interact. energy: 0.117
local terms energy: -75.924796
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -120.578978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.578978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.578978 (E_RNA)
where:
Base-Base interactions energy: -55.000
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.083
local terms energy: -65.496158
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -14.147
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: 365
Temperature: 1.050000
Total energy: -111.853565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.853565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.853565 (E_RNA)
where:
Base-Base interactions energy: -47.162
where: short stacking energy: -36.781
Base-Backbone interact. energy: -0.082
local terms energy: -64.609512
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -111.607334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.607334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.607334 (E_RNA)
where:
Base-Base interactions energy: -51.105
where: short stacking energy: -51.105
Base-Backbone interact. energy: -0.002
local terms energy: -60.500047
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -99.764266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.764266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.764266 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.088
local terms energy: -61.338893
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -92.898979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.898979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.898979 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.027
local terms energy: -58.172351
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -86.320382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320382 (E_RNA)
where:
Base-Base interactions energy: -42.811
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.088
local terms energy: -43.421470
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -1.271
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -79.705618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.705618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.705618 (E_RNA)
where:
Base-Base interactions energy: -25.479
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.733
local terms energy: -53.493007
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -73.889711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.889711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.889711 (E_RNA)
where:
Base-Base interactions energy: -26.026
where: short stacking energy: -26.026
Base-Backbone interact. energy: 0.776
local terms energy: -48.640148
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -197.739696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.739696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.739696 (E_RNA)
where:
Base-Base interactions energy: -119.814
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.042
local terms energy: -77.883985
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -201.985687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985687 (E_RNA)
where:
Base-Base interactions energy: -126.105
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.004
local terms energy: -75.876269
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -126.200689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.200689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.200689 (E_RNA)
where:
Base-Base interactions energy: -57.952
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.002
local terms energy: -68.246916
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -115.447522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.447522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.447522 (E_RNA)
where:
Base-Base interactions energy: -47.907
where: short stacking energy: -44.985
Base-Backbone interact. energy: 0.545
local terms energy: -68.085850
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -104.843818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.843818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.843818 (E_RNA)
where:
Base-Base interactions energy: -39.800
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.098
local terms energy: -64.945725
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -95.412154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.412154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.412154 (E_RNA)
where:
Base-Base interactions energy: -42.312
where: short stacking energy: -26.341
Base-Backbone interact. energy: -0.058
local terms energy: -53.042473
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -85.851903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.851903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.851903 (E_RNA)
where:
Base-Base interactions energy: -31.518
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.164
local terms energy: -54.170404
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -4.372
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: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -96.055306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.055306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.055306 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.073
local terms energy: -53.887772
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.977026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.977026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.977026 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.380
local terms energy: -48.066747
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -3.392
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: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -68.799691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.799691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.799691 (E_RNA)
where:
Base-Base interactions energy: -20.936
where: short stacking energy: -18.730
Base-Backbone interact. energy: -0.170
local terms energy: -47.693077
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -203.296197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.296197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.296197 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -71.846
Base-Backbone interact. energy: -1.485
local terms energy: -79.543085
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -192.503927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.503927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.503927 (E_RNA)
where:
Base-Base interactions energy: -113.307
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.411
local terms energy: -78.786461
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -127.293617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.293617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.293617 (E_RNA)
where:
Base-Base interactions energy: -56.653
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.000
local terms energy: -70.639923
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -111.027561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.027561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.027561 (E_RNA)
where:
Base-Base interactions energy: -45.948
where: short stacking energy: -40.420
Base-Backbone interact. energy: -0.029
local terms energy: -65.050944
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.077
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: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -102.623524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.623524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.623524 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.105
local terms energy: -55.850418
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -102.026852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.026852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.026852 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.326
local terms energy: -56.315183
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: 2.322
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -90.706392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706392 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.090
local terms energy: -57.508694
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.418
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: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -104.237255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.237255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.237255 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -37.967
Base-Backbone interact. energy: -0.168
local terms energy: -63.428180
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -83.257864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257864 (E_RNA)
where:
Base-Base interactions energy: -28.692
where: short stacking energy: -26.796
Base-Backbone interact. energy: 2.167
local terms energy: -56.732742
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.774
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: 367
Temperature: 1.350000
Total energy: -80.757440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.757440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.757440 (E_RNA)
where:
Base-Base interactions energy: -26.789
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.053
local terms energy: -53.915682
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -7.097
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: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -198.692003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.692003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.692003 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.009
local terms energy: -78.647517
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -22.164
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -209.143731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.143731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.143731 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.002
local terms energy: -78.750646
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -20.386
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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -119.460176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.460176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.460176 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -47.282
Base-Backbone interact. energy: 0.328
local terms energy: -66.695485
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -108.490958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.490958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.490958 (E_RNA)
where:
Base-Base interactions energy: -46.052
where: short stacking energy: -43.084
Base-Backbone interact. energy: -0.136
local terms energy: -62.302881
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -11.806
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -101.714784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.714784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.714784 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -36.929
Base-Backbone interact. energy: -0.079
local terms energy: -64.706767
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -10.740
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: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -108.476104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.476104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.476104 (E_RNA)
where:
Base-Base interactions energy: -48.937
where: short stacking energy: -38.117
Base-Backbone interact. energy: 3.262
local terms energy: -62.801366
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -4.268
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: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -92.719510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.719510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.719510 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -38.000
Base-Backbone interact. energy: -0.283
local terms energy: -54.436667
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -9.326
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: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -87.103021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103021 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.072
local terms energy: -54.466975
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -93.025472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.025472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.025472 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.148
local terms energy: -51.441407
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -68.184092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.184092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.184092 (E_RNA)
where:
Base-Base interactions energy: -28.321
where: short stacking energy: -21.630
Base-Backbone interact. energy: -0.290
local terms energy: -39.573135
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -196.767285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767285 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.013
local terms energy: -77.287855
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -190.330438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.330438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.330438 (E_RNA)
where:
Base-Base interactions energy: -112.922
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.374
local terms energy: -77.034231
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -117.131027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.131027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.131027 (E_RNA)
where:
Base-Base interactions energy: -55.709
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.104
local terms energy: -61.317908
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -8.220
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -101.079963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.079963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.079963 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.107
local terms energy: -61.947900
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -102.984730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.984730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.984730 (E_RNA)
where:
Base-Base interactions energy: -43.109
where: short stacking energy: -40.231
Base-Backbone interact. energy: -0.096
local terms energy: -59.780153
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -101.395414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.395414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.395414 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -39.524
Base-Backbone interact. energy: 1.816
local terms energy: -60.512354
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -7.278
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: 369
Temperature: 1.200000
Total energy: -81.198918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198918 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.209
local terms energy: -48.199832
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -78.729989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729989 (E_RNA)
where:
Base-Base interactions energy: -20.368
where: short stacking energy: -20.368
Base-Backbone interact. energy: -0.043
local terms energy: -58.319371
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -7.597
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: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -85.562025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562025 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -26.364
Base-Backbone interact. energy: -0.020
local terms energy: -52.192216
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -87.819065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819065 (E_RNA)
where:
Base-Base interactions energy: -39.095
where: short stacking energy: -18.121
Base-Backbone interact. energy: 0.936
local terms energy: -49.659993
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -202.840662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.840662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.840662 (E_RNA)
where:
Base-Base interactions energy: -122.637
where: short stacking energy: -71.709
Base-Backbone interact. energy: 0.220
local terms energy: -80.423078
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.887
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: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -192.720173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.720173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.720173 (E_RNA)
where:
Base-Base interactions energy: -120.958
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.004
local terms energy: -71.757613
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -120.106689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.106689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.106689 (E_RNA)
where:
Base-Base interactions energy: -50.563
where: short stacking energy: -50.563
Base-Backbone interact. energy: 2.409
local terms energy: -71.952092
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -8.711
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: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -120.716949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.716949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.716949 (E_RNA)
where:
Base-Base interactions energy: -52.774
where: short stacking energy: -51.646
Base-Backbone interact. energy: -0.028
local terms energy: -67.914275
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -9.352
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: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -100.317273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.317273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.317273 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -32.020
Base-Backbone interact. energy: 0.803
local terms energy: -66.427282
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -111.489087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.489087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.489087 (E_RNA)
where:
Base-Base interactions energy: -49.439
where: short stacking energy: -35.091
Base-Backbone interact. energy: 0.747
local terms energy: -62.797248
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -98.413174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413174 (E_RNA)
where:
Base-Base interactions energy: -45.658
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.015
local terms energy: -52.739946
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -82.210540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.210540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.210540 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -23.958
Base-Backbone interact. energy: 0.665
local terms energy: -52.106672
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.385383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.385383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.385383 (E_RNA)
where:
Base-Base interactions energy: -18.442
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.061
local terms energy: -60.881702
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -75.480089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.480089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.480089 (E_RNA)
where:
Base-Base interactions energy: -34.642
where: short stacking energy: -28.475
Base-Backbone interact. energy: -1.150
local terms energy: -39.688859
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -194.109404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.109404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.109404 (E_RNA)
where:
Base-Base interactions energy: -116.639
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.071
local terms energy: -77.399363
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -194.028739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.028739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.028739 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.102
local terms energy: -76.240536
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.867
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: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -120.385135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.385135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.385135 (E_RNA)
where:
Base-Base interactions energy: -53.089
where: short stacking energy: -51.524
Base-Backbone interact. energy: 0.141
local terms energy: -67.437127
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -10.270
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -121.433474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.433474 (E_RNA)
where:
Base-Base interactions energy: -60.605
where: short stacking energy: -51.541
Base-Backbone interact. energy: -0.461
local terms energy: -60.367692
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -4.216
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: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -116.222732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.222732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.222732 (E_RNA)
where:
Base-Base interactions energy: -53.897
where: short stacking energy: -46.022
Base-Backbone interact. energy: -1.213
local terms energy: -61.112409
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -99.773901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.773901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.773901 (E_RNA)
where:
Base-Base interactions energy: -42.917
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.131
local terms energy: -56.726455
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -10.843
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: 371
Temperature: 1.200000
Total energy: -89.953707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.953707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.953707 (E_RNA)
where:
Base-Base interactions energy: -31.685
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.169
local terms energy: -58.099507
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -10.186
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: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -84.721524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721524 (E_RNA)
where:
Base-Base interactions energy: -36.365
where: short stacking energy: -35.156
Base-Backbone interact. energy: -0.320
local terms energy: -48.036350
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -4.369
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: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -94.439816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439816 (E_RNA)
where:
Base-Base interactions energy: -45.975
where: short stacking energy: -40.516
Base-Backbone interact. energy: -0.119
local terms energy: -48.345746
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -74.573075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.573075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.573075 (E_RNA)
where:
Base-Base interactions energy: -27.330
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.384
local terms energy: -46.858640
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -202.983093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983093 (E_RNA)
where:
Base-Base interactions energy: -127.193
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.060
local terms energy: -75.730198
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -197.461577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.461577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.461577 (E_RNA)
where:
Base-Base interactions energy: -123.115
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.028
local terms energy: -74.318656
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -139.901782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.901782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.901782 (E_RNA)
where:
Base-Base interactions energy: -72.065
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.124
local terms energy: -67.960864
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -112.283210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.283210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.283210 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -42.770
Base-Backbone interact. energy: -0.018
local terms energy: -63.933768
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -97.480021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.480021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.480021 (E_RNA)
where:
Base-Base interactions energy: -48.524
where: short stacking energy: -35.748
Base-Backbone interact. energy: -0.143
local terms energy: -48.813065
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -4.485
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: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -89.647258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647258 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.086
local terms energy: -49.577187
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -84.162965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.162965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.162965 (E_RNA)
where:
Base-Base interactions energy: -34.039
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.291
local terms energy: -49.833553
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -81.498201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.498201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.498201 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.356
local terms energy: -50.798649
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -78.274360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274360 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -26.369
Base-Backbone interact. energy: -0.193
local terms energy: -50.188813
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -86.725770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725770 (E_RNA)
where:
Base-Base interactions energy: -35.782
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.285
local terms energy: -50.658821
where:
bonds (distance) C4'-P energy: -4.261
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -199.402197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.402197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.402197 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.077
local terms energy: -75.929816
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -202.295211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295211 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.001
local terms energy: -81.481186
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -21.855
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: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -155.662630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.662630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.662630 (E_RNA)
where:
Base-Base interactions energy: -90.573
where: short stacking energy: -49.461
Base-Backbone interact. energy: -0.005
local terms energy: -65.084203
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -124.454625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.454625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.454625 (E_RNA)
where:
Base-Base interactions energy: -62.982
where: short stacking energy: -48.052
Base-Backbone interact. energy: -1.024
local terms energy: -60.448473
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -101.266247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266247 (E_RNA)
where:
Base-Base interactions energy: -54.708
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.061
local terms energy: -46.496986
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -10.292
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: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -88.743262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743262 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.044
local terms energy: -58.415443
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -95.546640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.546640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.546640 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.331
local terms energy: -56.812389
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -7.794
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -89.310005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310005 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -35.645
Base-Backbone interact. energy: -0.166
local terms energy: -52.133507
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -85.302869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.302869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.302869 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -24.384
Base-Backbone interact. energy: -0.100
local terms energy: -60.819184
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -78.636801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.636801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.636801 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.131
local terms energy: -48.753398
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -200.300847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.300847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.300847 (E_RNA)
where:
Base-Base interactions energy: -119.979
where: short stacking energy: -71.018
Base-Backbone interact. energy: -0.373
local terms energy: -79.949541
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -21.636
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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -197.012249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.012249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.012249 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.008
local terms energy: -70.413882
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -159.750802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.750802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.750802 (E_RNA)
where:
Base-Base interactions energy: -97.944
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.215
local terms energy: -61.591624
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -119.715048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.715048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.715048 (E_RNA)
where:
Base-Base interactions energy: -53.497
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.022
local terms energy: -66.195955
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -120.314536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.314536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.314536 (E_RNA)
where:
Base-Base interactions energy: -53.964
where: short stacking energy: -41.798
Base-Backbone interact. energy: 0.064
local terms energy: -66.414421
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -9.831
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: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -98.025856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.025856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.025856 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.088
local terms energy: -53.393654
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -7.948
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: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -100.523355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.523355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.523355 (E_RNA)
where:
Base-Base interactions energy: -51.476
where: short stacking energy: -36.684
Base-Backbone interact. energy: 0.653
local terms energy: -49.700100
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -5.675
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: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -86.295832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295832 (E_RNA)
where:
Base-Base interactions energy: -44.643
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.073
local terms energy: -41.579881
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -79.294558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294558 (E_RNA)
where:
Base-Base interactions energy: -37.696
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.139
local terms energy: -41.459521
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.419637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.419637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.419637 (E_RNA)
where:
Base-Base interactions energy: -27.517
where: short stacking energy: -17.387
Base-Backbone interact. energy: 0.061
local terms energy: -48.963110
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -199.387712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.387712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.387712 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.012
local terms energy: -76.612681
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -195.617678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.617678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.617678 (E_RNA)
where:
Base-Base interactions energy: -119.459
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.086
local terms energy: -76.072506
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -165.647172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.647172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.647172 (E_RNA)
where:
Base-Base interactions energy: -101.422
where: short stacking energy: -55.912
Base-Backbone interact. energy: -1.534
local terms energy: -62.690622
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -117.735288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.735288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.735288 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.085
local terms energy: -64.453627
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -101.667556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667556 (E_RNA)
where:
Base-Base interactions energy: -41.357
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.173
local terms energy: -60.137357
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -91.570878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570878 (E_RNA)
where:
Base-Base interactions energy: -34.454
where: short stacking energy: -31.234
Base-Backbone interact. energy: 0.586
local terms energy: -57.702861
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -88.040810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040810 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.431
local terms energy: -51.103445
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -82.023652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023652 (E_RNA)
where:
Base-Base interactions energy: -36.517
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.485
local terms energy: -45.022185
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: 1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.056110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.056110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.056110 (E_RNA)
where:
Base-Base interactions energy: -33.115
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.049
local terms energy: -53.892001
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -12.020
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: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -69.829046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.829046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.829046 (E_RNA)
where:
Base-Base interactions energy: -21.345
where: short stacking energy: -19.778
Base-Backbone interact. energy: -0.094
local terms energy: -48.389444
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -2.294
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -204.418396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.418396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.418396 (E_RNA)
where:
Base-Base interactions energy: -120.624
where: short stacking energy: -73.061
Base-Backbone interact. energy: -0.009
local terms energy: -83.784541
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -189.815413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.815413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815413 (E_RNA)
where:
Base-Base interactions energy: -108.955
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.010
local terms energy: -80.850461
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -156.786489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.786489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.786489 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -46.785
Base-Backbone interact. energy: -0.676
local terms energy: -60.585319
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -13.311
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: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -107.704702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.704702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.704702 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -40.632
Base-Backbone interact. energy: 0.189
local terms energy: -64.901071
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -8.592
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -104.268404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.268404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.268404 (E_RNA)
where:
Base-Base interactions energy: -48.010
where: short stacking energy: -48.010
Base-Backbone interact. energy: -0.006
local terms energy: -56.252541
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -93.275595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275595 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -35.423
Base-Backbone interact. energy: -0.141
local terms energy: -56.310537
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -5.195
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: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -94.010782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.010782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.010782 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -36.920
Base-Backbone interact. energy: 0.566
local terms energy: -52.523563
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -88.431631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.431631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.431631 (E_RNA)
where:
Base-Base interactions energy: -38.463
where: short stacking energy: -33.448
Base-Backbone interact. energy: -0.106
local terms energy: -49.863485
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -8.618
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: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -76.700701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.700701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.700701 (E_RNA)
where:
Base-Base interactions energy: -23.517
where: short stacking energy: -23.517
Base-Backbone interact. energy: -0.296
local terms energy: -52.887813
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -8.049
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: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -82.842761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842761 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.055
local terms energy: -42.869319
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -203.497563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.497563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.497563 (E_RNA)
where:
Base-Base interactions energy: -123.947
where: short stacking energy: -75.093
Base-Backbone interact. energy: -0.000
local terms energy: -79.550683
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -190.508765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.508765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.508765 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.016
local terms energy: -74.831705
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -10.861
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: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -145.433531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.433531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.433531 (E_RNA)
where:
Base-Base interactions energy: -88.131
where: short stacking energy: -47.201
Base-Backbone interact. energy: -0.253
local terms energy: -57.049585
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -130.419660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.419660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.419660 (E_RNA)
where:
Base-Base interactions energy: -73.571
where: short stacking energy: -46.180
Base-Backbone interact. energy: -1.058
local terms energy: -55.790694
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -108.945829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.945829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.945829 (E_RNA)
where:
Base-Base interactions energy: -48.988
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.031
local terms energy: -59.927316
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -96.149949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.149949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.149949 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.411
local terms energy: -57.442636
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -103.893865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.893865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.893865 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -43.015
Base-Backbone interact. energy: 0.118
local terms energy: -59.095559
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -11.300
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: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -90.834627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834627 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.202
local terms energy: -50.484068
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.847376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847376 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -21.913
Base-Backbone interact. energy: -0.073
local terms energy: -54.731319
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -71.591307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.591307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.591307 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -22.368
Base-Backbone interact. energy: 2.224
local terms energy: -48.236963
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: 2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -188.264327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.264327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.264327 (E_RNA)
where:
Base-Base interactions energy: -114.560
where: short stacking energy: -67.988
Base-Backbone interact. energy: 2.792
local terms energy: -76.495679
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -197.066442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.066442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.066442 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.016
local terms energy: -81.769982
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -154.122053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.122053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.122053 (E_RNA)
where:
Base-Base interactions energy: -84.855
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.004
local terms energy: -69.263414
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -116.014627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.014627 (E_RNA)
where:
Base-Base interactions energy: -51.584
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.096
local terms energy: -64.334054
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -93.111484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.111484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.111484 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -19.594
Base-Backbone interact. energy: -0.241
local terms energy: -50.986875
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -89.952040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952040 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.132
local terms energy: -54.296678
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.503
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -99.665264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.665264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.665264 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -39.968
Base-Backbone interact. energy: 0.150
local terms energy: -55.065777
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -84.654376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654376 (E_RNA)
where:
Base-Base interactions energy: -22.337
where: short stacking energy: -20.711
Base-Backbone interact. energy: -0.122
local terms energy: -62.195009
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -12.985
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: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.600452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600452 (E_RNA)
where:
Base-Base interactions energy: -30.074
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.221
local terms energy: -57.305984
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.650
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: 378
Temperature: 1.350000
Total energy: -83.520707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.520707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.520707 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.075
local terms energy: -54.626565
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -186.728445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.728445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.728445 (E_RNA)
where:
Base-Base interactions energy: -104.533
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.008
local terms energy: -82.187051
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -200.992516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.992516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.992516 (E_RNA)
where:
Base-Base interactions energy: -122.587
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.972
local terms energy: -77.432978
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -153.344803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.344803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.344803 (E_RNA)
where:
Base-Base interactions energy: -83.815
where: short stacking energy: -52.418
Base-Backbone interact. energy: -0.115
local terms energy: -69.414715
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -126.736943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.736943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.736943 (E_RNA)
where:
Base-Base interactions energy: -74.623
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.063
local terms energy: -52.051010
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -8.968
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -108.739015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.739015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.739015 (E_RNA)
where:
Base-Base interactions energy: -48.495
where: short stacking energy: -32.495
Base-Backbone interact. energy: -0.225
local terms energy: -60.018954
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -91.264046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264046 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -31.083
Base-Backbone interact. energy: -0.145
local terms energy: -59.865572
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.828
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: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -108.343420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.343420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.343420 (E_RNA)
where:
Base-Base interactions energy: -60.592
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.385
local terms energy: -47.366793
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -93.943667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.943667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.943667 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.093
local terms energy: -54.736031
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -81.234663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.234663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.234663 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -24.008
Base-Backbone interact. energy: 2.213
local terms energy: -49.589899
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -86.217374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217374 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.033
local terms energy: -48.629305
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -201.546053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.546053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.546053 (E_RNA)
where:
Base-Base interactions energy: -119.234
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.015
local terms energy: -82.297363
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -189.600790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.600790 (E_RNA)
where:
Base-Base interactions energy: -110.207
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.007
local terms energy: -79.385855
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -18.591
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: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -147.967165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.967165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.967165 (E_RNA)
where:
Base-Base interactions energy: -78.216
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.010
local terms energy: -69.741389
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -130.135022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.135022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.135022 (E_RNA)
where:
Base-Base interactions energy: -75.405
where: short stacking energy: -40.875
Base-Backbone interact. energy: -0.042
local terms energy: -54.687421
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -102.265990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265990 (E_RNA)
where:
Base-Base interactions energy: -43.243
where: short stacking energy: -38.560
Base-Backbone interact. energy: 0.156
local terms energy: -59.179480
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -5.606
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: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -95.397181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397181 (E_RNA)
where:
Base-Base interactions energy: -46.001
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.163
local terms energy: -49.233162
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -91.114162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.114162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.114162 (E_RNA)
where:
Base-Base interactions energy: -43.075
where: short stacking energy: -31.428
Base-Backbone interact. energy: -1.010
local terms energy: -47.029259
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -87.728921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728921 (E_RNA)
where:
Base-Base interactions energy: -32.156
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.215
local terms energy: -55.357974
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -8.810
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -77.962413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.962413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.962413 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.107
local terms energy: -48.692844
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -0.786
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: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -80.104103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.104103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.104103 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.113
local terms energy: -47.001995
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -0.459
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -190.565020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.565020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.565020 (E_RNA)
where:
Base-Base interactions energy: -115.104
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.513
local terms energy: -74.948175
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -190.303634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.303634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.303634 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.129
local terms energy: -78.468226
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -149.097704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.097704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.097704 (E_RNA)
where:
Base-Base interactions energy: -77.585
where: short stacking energy: -46.898
Base-Backbone interact. energy: -0.123
local terms energy: -71.390302
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.935
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -112.278561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.278561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.278561 (E_RNA)
where:
Base-Base interactions energy: -49.796
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.000
local terms energy: -62.481940
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -113.365416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.365416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.365416 (E_RNA)
where:
Base-Base interactions energy: -52.862
where: short stacking energy: -37.824
Base-Backbone interact. energy: 0.705
local terms energy: -61.208929
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -94.394140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394140 (E_RNA)
where:
Base-Base interactions energy: -38.089
where: short stacking energy: -36.477
Base-Backbone interact. energy: -0.147
local terms energy: -56.158461
where:
bonds (distance) C4'-P energy: -7.086
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -12.442
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: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -97.331546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331546 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.212
local terms energy: -55.120431
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -76.523683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.523683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.523683 (E_RNA)
where:
Base-Base interactions energy: -28.720
where: short stacking energy: -11.088
Base-Backbone interact. energy: 1.210
local terms energy: -49.013315
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -9.703
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: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -86.330275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330275 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.033
local terms energy: -58.539151
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -6.874
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.414956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414956 (E_RNA)
where:
Base-Base interactions energy: -26.731
where: short stacking energy: -22.781
Base-Backbone interact. energy: -0.699
local terms energy: -51.983969
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -202.440386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.440386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.440386 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.735
local terms energy: -80.796750
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -179.387164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387164 (E_RNA)
where:
Base-Base interactions energy: -106.434
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.087
local terms energy: -72.865665
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -158.427994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.427994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.427994 (E_RNA)
where:
Base-Base interactions energy: -83.834
where: short stacking energy: -55.018
Base-Backbone interact. energy: -0.360
local terms energy: -74.234118
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -120.882198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.882198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.882198 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -38.197
Base-Backbone interact. energy: 1.241
local terms energy: -65.421371
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -6.849
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: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -102.676676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.676676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.676676 (E_RNA)
where:
Base-Base interactions energy: -50.530
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.302
local terms energy: -51.845063
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -4.690
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: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -90.706719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706719 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.136
local terms energy: -55.402768
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -90.232877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.232877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.232877 (E_RNA)
where:
Base-Base interactions energy: -41.117
where: short stacking energy: -29.746
Base-Backbone interact. energy: -0.347
local terms energy: -48.768903
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -8.469
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: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -102.867086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.867086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.867086 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.203
local terms energy: -51.020406
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -82.724739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724739 (E_RNA)
where:
Base-Base interactions energy: -30.106
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.061
local terms energy: -52.557737
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -79.033542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033542 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.123
local terms energy: -48.860637
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -201.449725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449725 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -75.420
Base-Backbone interact. energy: -0.029
local terms energy: -78.315245
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -174.390495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390495 (E_RNA)
where:
Base-Base interactions energy: -105.237
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.050
local terms energy: -69.104262
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -12.603
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -145.713648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.713648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.713648 (E_RNA)
where:
Base-Base interactions energy: -88.095
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.260
local terms energy: -57.358769
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -127.760860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.760860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.760860 (E_RNA)
where:
Base-Base interactions energy: -68.418
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.438
local terms energy: -58.905083
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -117.841666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.841666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.841666 (E_RNA)
where:
Base-Base interactions energy: -56.496
where: short stacking energy: -56.496
Base-Backbone interact. energy: 0.154
local terms energy: -61.500054
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -89.709007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.709007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.709007 (E_RNA)
where:
Base-Base interactions energy: -37.951
where: short stacking energy: -25.695
Base-Backbone interact. energy: -0.351
local terms energy: -51.406551
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -94.402394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.402394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.402394 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -26.966
Base-Backbone interact. energy: 0.350
local terms energy: -53.186074
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -81.514417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514417 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -22.737
Base-Backbone interact. energy: 0.934
local terms energy: -47.702345
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -84.676475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676475 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.369
local terms energy: -43.233983
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -74.070705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070705 (E_RNA)
where:
Base-Base interactions energy: -33.002
where: short stacking energy: -19.994
Base-Backbone interact. energy: 0.221
local terms energy: -41.289683
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -7.777
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: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -201.173609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.173609 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.001
local terms energy: -76.318254
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -191.615096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.615096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.615096 (E_RNA)
where:
Base-Base interactions energy: -113.742
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.029
local terms energy: -77.844568
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -138.998532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.998532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.998532 (E_RNA)
where:
Base-Base interactions energy: -74.945
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.204
local terms energy: -63.850106
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -11.926
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: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -120.363863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.363863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.363863 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -48.326
Base-Backbone interact. energy: -0.002
local terms energy: -72.035200
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -12.692
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: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -117.792384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.792384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.792384 (E_RNA)
where:
Base-Base interactions energy: -70.541
where: short stacking energy: -35.320
Base-Backbone interact. energy: 1.522
local terms energy: -48.772874
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -100.386666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.386666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.386666 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -29.657
Base-Backbone interact. energy: -0.414
local terms energy: -54.168795
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -96.336114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.336114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.336114 (E_RNA)
where:
Base-Base interactions energy: -39.341
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.786
local terms energy: -56.209987
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -7.005
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -83.337934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.337934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.337934 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.197
local terms energy: -42.491644
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.110
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: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -89.832353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.832353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.832353 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -27.862
Base-Backbone interact. energy: 0.591
local terms energy: -56.490454
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -82.750967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750967 (E_RNA)
where:
Base-Base interactions energy: -31.094
where: short stacking energy: -27.948
Base-Backbone interact. energy: -1.223
local terms energy: -50.433439
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -1.932
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: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -201.355245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.355245 (E_RNA)
where:
Base-Base interactions energy: -123.916
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.002
local terms energy: -77.436762
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -193.607475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.607475 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.022
local terms energy: -75.571703
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -20.668
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: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -152.427023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.427023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.427023 (E_RNA)
where:
Base-Base interactions energy: -90.712
where: short stacking energy: -45.832
Base-Backbone interact. energy: -1.356
local terms energy: -60.358385
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -116.338797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.338797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.338797 (E_RNA)
where:
Base-Base interactions energy: -60.924
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.720
local terms energy: -54.694483
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -7.905
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -104.678962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.678962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.678962 (E_RNA)
where:
Base-Base interactions energy: -44.811
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.003
local terms energy: -59.864977
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -94.956144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.956144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.956144 (E_RNA)
where:
Base-Base interactions energy: -39.612
where: short stacking energy: -34.777
Base-Backbone interact. energy: -0.058
local terms energy: -55.286211
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -99.714560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.714560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.714560 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -39.372
Base-Backbone interact. energy: -0.130
local terms energy: -56.933327
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -100.321676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321676 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.597
local terms energy: -67.887358
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -99.511728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.511728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.511728 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -38.390
Base-Backbone interact. energy: -0.148
local terms energy: -57.632961
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -5.021
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: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -70.681766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.681766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.681766 (E_RNA)
where:
Base-Base interactions energy: -25.997
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.554
local terms energy: -44.130495
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.235
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: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -196.806053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.806053 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -76.939
Base-Backbone interact. energy: -0.001
local terms energy: -71.710486
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -19.064
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -198.233202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.233202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.233202 (E_RNA)
where:
Base-Base interactions energy: -118.332
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.001
local terms energy: -79.900966
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -164.979126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.979126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.979126 (E_RNA)
where:
Base-Base interactions energy: -96.364
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.104
local terms energy: -68.511511
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -15.210
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -135.125913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.125913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.125913 (E_RNA)
where:
Base-Base interactions energy: -79.250
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.301
local terms energy: -55.574917
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -93.921075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.921075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.921075 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.196
local terms energy: -56.440080
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -98.968086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968086 (E_RNA)
where:
Base-Base interactions energy: -45.947
where: short stacking energy: -34.187
Base-Backbone interact. energy: -0.013
local terms energy: -53.008609
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -8.691
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -90.394130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394130 (E_RNA)
where:
Base-Base interactions energy: -34.908
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.024
local terms energy: -55.461993
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -87.143897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143897 (E_RNA)
where:
Base-Base interactions energy: -35.879
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.389
local terms energy: -50.875601
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -73.435541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.435541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.435541 (E_RNA)
where:
Base-Base interactions energy: -22.524
where: short stacking energy: -17.560
Base-Backbone interact. energy: -0.140
local terms energy: -50.771670
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -72.255471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.255471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.255471 (E_RNA)
where:
Base-Base interactions energy: -22.960
where: short stacking energy: -20.586
Base-Backbone interact. energy: -0.173
local terms energy: -49.121675
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -197.775326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.775326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.775326 (E_RNA)
where:
Base-Base interactions energy: -118.853
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.010
local terms energy: -78.911909
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -201.105516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105516 (E_RNA)
where:
Base-Base interactions energy: -124.145
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.023
local terms energy: -76.937183
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -162.088652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.088652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.088652 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.003
local terms energy: -66.442905
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -102.126680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.126680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.126680 (E_RNA)
where:
Base-Base interactions energy: -44.173
where: short stacking energy: -32.920
Base-Backbone interact. energy: -0.223
local terms energy: -57.730993
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -110.868085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.868085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.868085 (E_RNA)
where:
Base-Base interactions energy: -48.051
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.235
local terms energy: -62.581604
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -10.336
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: 387
Temperature: 1.150000
Total energy: -87.121945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121945 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.026
local terms energy: -52.069753
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -2.354
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -93.714047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714047 (E_RNA)
where:
Base-Base interactions energy: -30.714
where: short stacking energy: -30.714
Base-Backbone interact. energy: 0.805
local terms energy: -63.805632
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -7.046
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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -94.309936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.309936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.309936 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.939
local terms energy: -60.819073
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -67.385320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.385320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.385320 (E_RNA)
where:
Base-Base interactions energy: -18.932
where: short stacking energy: -16.572
Base-Backbone interact. energy: -0.488
local terms energy: -47.965756
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: 1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -74.178319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.178319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.178319 (E_RNA)
where:
Base-Base interactions energy: -23.094
where: short stacking energy: -23.094
Base-Backbone interact. energy: 0.316
local terms energy: -51.400246
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -191.937349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.937349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.937349 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.001
local terms energy: -74.843976
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -196.396261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396261 (E_RNA)
where:
Base-Base interactions energy: -117.904
where: short stacking energy: -72.547
Base-Backbone interact. energy: -0.547
local terms energy: -77.945188
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -150.799477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.799477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.799477 (E_RNA)
where:
Base-Base interactions energy: -83.997
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.004
local terms energy: -66.798080
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -118.897575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.897575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.897575 (E_RNA)
where:
Base-Base interactions energy: -62.597
where: short stacking energy: -50.820
Base-Backbone interact. energy: -0.038
local terms energy: -56.262040
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -102.798023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.798023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.798023 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.044
local terms energy: -65.378190
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.751
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -97.131891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.131891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.131891 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -29.811
Base-Backbone interact. energy: -1.612
local terms energy: -51.881722
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -6.585
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -87.335647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335647 (E_RNA)
where:
Base-Base interactions energy: -35.718
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.733
local terms energy: -50.884329
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.078
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: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -110.010161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.010161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.010161 (E_RNA)
where:
Base-Base interactions energy: -52.153
where: short stacking energy: -40.352
Base-Backbone interact. energy: -0.030
local terms energy: -57.827196
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.678
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: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -83.905866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905866 (E_RNA)
where:
Base-Base interactions energy: -40.683
where: short stacking energy: -31.977
Base-Backbone interact. energy: 2.203
local terms energy: -45.425167
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -81.902435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.902435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.902435 (E_RNA)
where:
Base-Base interactions energy: -28.272
where: short stacking energy: -26.631
Base-Backbone interact. energy: -0.043
local terms energy: -53.587224
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -191.388145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.388145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388145 (E_RNA)
where:
Base-Base interactions energy: -112.155
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.026
local terms energy: -79.206851
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -187.816182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.816182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.816182 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.022
local terms energy: -75.953418
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -153.110061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.110061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110061 (E_RNA)
where:
Base-Base interactions energy: -89.659
where: short stacking energy: -46.412
Base-Backbone interact. energy: -0.059
local terms energy: -63.392772
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -102.142491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.142491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.142491 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.053
local terms energy: -56.043662
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -120.977579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.977579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.977579 (E_RNA)
where:
Base-Base interactions energy: -70.822
where: short stacking energy: -40.136
Base-Backbone interact. energy: -0.082
local terms energy: -50.074313
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -101.304058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.304058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.304058 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.172
local terms energy: -63.127373
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -96.060322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060322 (E_RNA)
where:
Base-Base interactions energy: -39.287
where: short stacking energy: -39.287
Base-Backbone interact. energy: -0.001
local terms energy: -56.772486
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -89.455244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.455244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.455244 (E_RNA)
where:
Base-Base interactions energy: -34.395
where: short stacking energy: -27.362
Base-Backbone interact. energy: -3.091
local terms energy: -51.968911
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -5.241
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -76.329180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.329180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.329180 (E_RNA)
where:
Base-Base interactions energy: -30.986
where: short stacking energy: -26.899
Base-Backbone interact. energy: -0.437
local terms energy: -44.906672
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -67.468420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.468420 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -21.141
Base-Backbone interact. energy: -0.737
local terms energy: -28.502553
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -202.457504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457504 (E_RNA)
where:
Base-Base interactions energy: -133.098
where: short stacking energy: -66.979
Base-Backbone interact. energy: 0.326
local terms energy: -69.685575
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -12.248
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: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -190.233843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.233843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.233843 (E_RNA)
where:
Base-Base interactions energy: -108.112
where: short stacking energy: -65.776
Base-Backbone interact. energy: -1.382
local terms energy: -80.740371
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -172.938847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938847 (E_RNA)
where:
Base-Base interactions energy: -105.915
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.092
local terms energy: -66.931701
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -112.382760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.382760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.382760 (E_RNA)
where:
Base-Base interactions energy: -50.337
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.258
local terms energy: -61.788011
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -96.921033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.921033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.921033 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.020
local terms energy: -52.101844
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -105.291253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.291253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.291253 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.197
local terms energy: -55.064949
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -97.545797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.545797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.545797 (E_RNA)
where:
Base-Base interactions energy: -40.269
where: short stacking energy: -38.354
Base-Backbone interact. energy: -0.186
local terms energy: -57.091025
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -7.756
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: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -93.447950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.447950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.447950 (E_RNA)
where:
Base-Base interactions energy: -38.509
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.021
local terms energy: -54.918316
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -7.492
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -75.454954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.454954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.454954 (E_RNA)
where:
Base-Base interactions energy: -28.007
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.099
local terms energy: -47.349067
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -0.746
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.099143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.099143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.099143 (E_RNA)
where:
Base-Base interactions energy: -27.239
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.134
local terms energy: -54.725273
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -200.344117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.344117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.344117 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.333
local terms energy: -71.952492
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -10.002
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: 391
Temperature: 0.950000
Total energy: -196.052259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.052259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.052259 (E_RNA)
where:
Base-Base interactions energy: -118.784
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.010
local terms energy: -77.258021
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -24.296
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: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -187.270709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.270709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.270709 (E_RNA)
where:
Base-Base interactions energy: -116.677
where: short stacking energy: -56.696
Base-Backbone interact. energy: 0.330
local terms energy: -70.924038
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -10.320
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -114.648959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.648959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.648959 (E_RNA)
where:
Base-Base interactions energy: -51.594
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.007
local terms energy: -63.047713
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -106.422490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.422490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.422490 (E_RNA)
where:
Base-Base interactions energy: -56.196
where: short stacking energy: -29.120
Base-Backbone interact. energy: 1.985
local terms energy: -52.211272
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -100.202903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.202903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.202903 (E_RNA)
where:
Base-Base interactions energy: -41.346
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.099
local terms energy: -58.757902
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -9.276
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -95.949979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.949979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.949979 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.077
local terms energy: -56.116388
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -10.613
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: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -80.652333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652333 (E_RNA)
where:
Base-Base interactions energy: -25.002
where: short stacking energy: -23.190
Base-Backbone interact. energy: -0.094
local terms energy: -55.556627
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -72.133965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.133965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.133965 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.104
local terms energy: -38.824624
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -84.735208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735208 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -34.894
Base-Backbone interact. energy: -0.027
local terms energy: -49.814352
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -7.792
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -203.105915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.105915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.105915 (E_RNA)
where:
Base-Base interactions energy: -113.919
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.050
local terms energy: -89.137551
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -194.609855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609855 (E_RNA)
where:
Base-Base interactions energy: -116.465
where: short stacking energy: -61.472
Base-Backbone interact. energy: 0.409
local terms energy: -78.553933
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -20.390
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -120.003125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.003125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.003125 (E_RNA)
where:
Base-Base interactions energy: -66.575
where: short stacking energy: -37.900
Base-Backbone interact. energy: -1.207
local terms energy: -52.221857
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -176.639679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.639679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.639679 (E_RNA)
where:
Base-Base interactions energy: -115.046
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.007
local terms energy: -61.586239
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.833
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -100.029469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.029469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.029469 (E_RNA)
where:
Base-Base interactions energy: -43.798
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.038
local terms energy: -56.192652
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -104.215608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.215608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.215608 (E_RNA)
where:
Base-Base interactions energy: -43.352
where: short stacking energy: -28.454
Base-Backbone interact. energy: -0.151
local terms energy: -60.712906
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -92.899313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899313 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.003
local terms energy: -60.382884
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -93.304446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.304446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.304446 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.161
local terms energy: -52.923502
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -1.556
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: 392
Temperature: 1.300000
Total energy: -89.420300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.420300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.420300 (E_RNA)
where:
Base-Base interactions energy: -35.364
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.092
local terms energy: -53.964379
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -76.156096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.156096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.156096 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -21.491
Base-Backbone interact. energy: 1.649
local terms energy: -47.622554
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.621
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -205.391073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.391073 (E_RNA)
where:
Base-Base interactions energy: -125.516
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.001
local terms energy: -79.874882
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -13.799
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -200.586407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.586407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.586407 (E_RNA)
where:
Base-Base interactions energy: -129.405
where: short stacking energy: -69.094
Base-Backbone interact. energy: 1.366
local terms energy: -72.547603
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.565
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: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -122.736036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.736036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.736036 (E_RNA)
where:
Base-Base interactions energy: -63.999
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.117
local terms energy: -58.619973
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -166.924405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.924405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.924405 (E_RNA)
where:
Base-Base interactions energy: -99.731
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.025
local terms energy: -67.168573
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -143.441206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.441206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.441206 (E_RNA)
where:
Base-Base interactions energy: -75.908
where: short stacking energy: -44.951
Base-Backbone interact. energy: -0.002
local terms energy: -67.530961
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -12.251
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: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -94.316546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.316546 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.237
local terms energy: -55.902937
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -110.955193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.955193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.955193 (E_RNA)
where:
Base-Base interactions energy: -60.215
where: short stacking energy: -33.196
Base-Backbone interact. energy: 0.173
local terms energy: -50.913600
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -96.244080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244080 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -16.125
Base-Backbone interact. energy: -0.045
local terms energy: -45.875655
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -75.605912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.605912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.605912 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.286
local terms energy: -43.830851
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -5.204
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: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -79.072505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.072505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.072505 (E_RNA)
where:
Base-Base interactions energy: -30.140
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.129
local terms energy: -48.803029
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -197.085857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.085857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.085857 (E_RNA)
where:
Base-Base interactions energy: -119.927
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.002
local terms energy: -77.156918
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.142
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: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -194.527196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527196 (E_RNA)
where:
Base-Base interactions energy: -115.934
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.007
local terms energy: -78.585359
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -19.333
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: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -168.391210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.391210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.391210 (E_RNA)
where:
Base-Base interactions energy: -108.358
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.453
local terms energy: -59.580452
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -115.497665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.497665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.497665 (E_RNA)
where:
Base-Base interactions energy: -48.520
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.009
local terms energy: -66.968953
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -140.141091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.141091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.141091 (E_RNA)
where:
Base-Base interactions energy: -82.534
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.148
local terms energy: -57.459405
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -13.059
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -101.497175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.497175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.497175 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.011
local terms energy: -56.363263
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -87.376873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376873 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -40.824
Base-Backbone interact. energy: 2.269
local terms energy: -48.192688
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -7.136
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: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -86.955717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955717 (E_RNA)
where:
Base-Base interactions energy: -28.866
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.150
local terms energy: -57.940222
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -11.006
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -76.171649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.171649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.171649 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -15.543
Base-Backbone interact. energy: -0.359
local terms energy: -46.334696
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: 2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -84.641058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641058 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.090
local terms energy: -50.113947
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -191.846481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.846481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.846481 (E_RNA)
where:
Base-Base interactions energy: -117.848
where: short stacking energy: -67.135
Base-Backbone interact. energy: 0.263
local terms energy: -74.262166
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.021
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: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -191.294300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.294300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.294300 (E_RNA)
where:
Base-Base interactions energy: -120.017
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.052
local terms energy: -71.225176
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -159.342144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.342144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.342144 (E_RNA)
where:
Base-Base interactions energy: -84.491
where: short stacking energy: -49.822
Base-Backbone interact. energy: -0.036
local terms energy: -74.814665
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -134.961734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.961734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.961734 (E_RNA)
where:
Base-Base interactions energy: -74.360
where: short stacking energy: -45.403
Base-Backbone interact. energy: 0.185
local terms energy: -60.786223
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -104.144084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144084 (E_RNA)
where:
Base-Base interactions energy: -47.275
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.097
local terms energy: -56.771905
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -7.399
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -85.074739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074739 (E_RNA)
where:
Base-Base interactions energy: -30.839
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.220
local terms energy: -54.015574
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -89.057685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.057685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.057685 (E_RNA)
where:
Base-Base interactions energy: -44.134
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.163
local terms energy: -44.760082
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -5.857
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: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -91.420284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.420284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.420284 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.336
local terms energy: -50.057228
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -87.018656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018656 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.475
local terms energy: -50.460436
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -2.764
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: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -75.084504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.084504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.084504 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -18.589
Base-Backbone interact. energy: -0.105
local terms energy: -51.153089
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.134
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: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -193.071367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071367 (E_RNA)
where:
Base-Base interactions energy: -121.426
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.165
local terms energy: -71.480397
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -13.985
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: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -200.993809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.993809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.993809 (E_RNA)
where:
Base-Base interactions energy: -125.082
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.059
local terms energy: -75.852752
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -17.907
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: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -150.845751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.845751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.845751 (E_RNA)
where:
Base-Base interactions energy: -83.833
where: short stacking energy: -47.891
Base-Backbone interact. energy: -0.290
local terms energy: -66.722412
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -122.111727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.111727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.111727 (E_RNA)
where:
Base-Base interactions energy: -68.834
where: short stacking energy: -45.406
Base-Backbone interact. energy: -0.929
local terms energy: -52.348983
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -109.565194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.565194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.565194 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.168
local terms energy: -69.361412
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -10.577
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: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -88.245974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.245974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.245974 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -35.629
Base-Backbone interact. energy: -0.084
local terms energy: -53.209531
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -91.782585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.782585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.782585 (E_RNA)
where:
Base-Base interactions energy: -39.130
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.298
local terms energy: -52.355470
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.958677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.958677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.958677 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.710
local terms energy: -54.086872
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -5.020
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: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -81.411523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.411523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.411523 (E_RNA)
where:
Base-Base interactions energy: -41.623
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.116
local terms energy: -39.672689
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -78.387547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387547 (E_RNA)
where:
Base-Base interactions energy: -29.161
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.020
local terms energy: -49.206180
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -201.950661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.950661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.950661 (E_RNA)
where:
Base-Base interactions energy: -118.483
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.021
local terms energy: -83.446690
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -199.362282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.362282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.362282 (E_RNA)
where:
Base-Base interactions energy: -123.590
where: short stacking energy: -76.031
Base-Backbone interact. energy: -0.035
local terms energy: -75.738035
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -149.650357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.650357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.650357 (E_RNA)
where:
Base-Base interactions energy: -80.282
where: short stacking energy: -44.873
Base-Backbone interact. energy: -0.439
local terms energy: -68.929248
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -104.038767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.038767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.038767 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -44.584
Base-Backbone interact. energy: -0.081
local terms energy: -59.042184
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -6.678
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -122.532488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.532488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.532488 (E_RNA)
where:
Base-Base interactions energy: -57.877
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.365
local terms energy: -64.290797
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -92.802928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.802928 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -38.147
Base-Backbone interact. energy: 0.928
local terms energy: -52.259919
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -90.238619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.238619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.238619 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -23.668
Base-Backbone interact. energy: -0.549
local terms energy: -44.134326
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -79.442548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.442548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.442548 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -21.814
Base-Backbone interact. energy: 0.258
local terms energy: -50.086080
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -76.809613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.809613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.809613 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -22.880
Base-Backbone interact. energy: 2.351
local terms energy: -36.128804
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -5.553
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -92.744935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.744935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.744935 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.299
local terms energy: -49.916600
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -2.156
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: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -201.889090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.889090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.889090 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -69.948
Base-Backbone interact. energy: -0.025
local terms energy: -82.397919
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -199.974339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.974339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.974339 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.962
local terms energy: -79.649275
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -187.306596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.306596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.306596 (E_RNA)
where:
Base-Base interactions energy: -115.747
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.069
local terms energy: -71.490978
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.552
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -111.333930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.333930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.333930 (E_RNA)
where:
Base-Base interactions energy: -55.969
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.931
local terms energy: -54.434177
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -97.587325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.587325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.587325 (E_RNA)
where:
Base-Base interactions energy: -40.963
where: short stacking energy: -37.851
Base-Backbone interact. energy: 0.999
local terms energy: -57.623383
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -89.504536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504536 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.162
local terms energy: -57.590284
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -3.818
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -94.853227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.853227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.853227 (E_RNA)
where:
Base-Base interactions energy: -46.413
where: short stacking energy: -35.614
Base-Backbone interact. energy: -0.015
local terms energy: -48.425507
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -78.525581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.525581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.525581 (E_RNA)
where:
Base-Base interactions energy: -31.240
where: short stacking energy: -23.163
Base-Backbone interact. energy: -0.094
local terms energy: -47.191727
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.234470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234470 (E_RNA)
where:
Base-Base interactions energy: -54.634
where: short stacking energy: -33.895
Base-Backbone interact. energy: 0.648
local terms energy: -34.247968
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -7.069
flat angles P-C4'-P energy: -1.949
tors. eta vs tors. theta energy: 2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -71.043368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.043368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.043368 (E_RNA)
where:
Base-Base interactions energy: -26.160
where: short stacking energy: -26.160
Base-Backbone interact. energy: 5.677
local terms energy: -50.561195
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -202.576754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576754 (E_RNA)
where:
Base-Base interactions energy: -122.678
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.765
local terms energy: -79.133337
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -185.899045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.899045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.899045 (E_RNA)
where:
Base-Base interactions energy: -114.459
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.871
local terms energy: -70.568285
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -185.782442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.782442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.782442 (E_RNA)
where:
Base-Base interactions energy: -114.655
where: short stacking energy: -64.024
Base-Backbone interact. energy: 0.010
local terms energy: -71.137360
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -101.492749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.492749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.492749 (E_RNA)
where:
Base-Base interactions energy: -43.940
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.051
local terms energy: -57.502002
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -92.899077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899077 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.256
local terms energy: -57.572131
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -13.710
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -104.633477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.633477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.633477 (E_RNA)
where:
Base-Base interactions energy: -51.631
where: short stacking energy: -36.287
Base-Backbone interact. energy: -0.195
local terms energy: -52.807416
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -5.748
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: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -90.347250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.347250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.347250 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -17.334
Base-Backbone interact. energy: -0.951
local terms energy: -51.869144
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -81.447567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.447567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.447567 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -26.114
Base-Backbone interact. energy: 0.377
local terms energy: -45.537182
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: 2.917
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: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -74.241215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.241215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.241215 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.438
Base-Backbone interact. energy: 0.078
local terms energy: -44.880646
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -11.025
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: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -75.230703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.230703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.230703 (E_RNA)
where:
Base-Base interactions energy: -18.429
where: short stacking energy: -18.325
Base-Backbone interact. energy: -0.156
local terms energy: -56.646235
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -191.414288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.414288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.414288 (E_RNA)
where:
Base-Base interactions energy: -115.018
where: short stacking energy: -63.427
Base-Backbone interact. energy: -0.095
local terms energy: -76.302106
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -191.576569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.576569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.576569 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.024
local terms energy: -75.964698
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -18.169
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -191.821251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.821251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.821251 (E_RNA)
where:
Base-Base interactions energy: -115.868
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.384
local terms energy: -75.569222
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -117.064808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.064808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.064808 (E_RNA)
where:
Base-Base interactions energy: -55.567
where: short stacking energy: -49.025
Base-Backbone interact. energy: -0.089
local terms energy: -61.408083
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -133.662605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.662605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.662605 (E_RNA)
where:
Base-Base interactions energy: -77.944
where: short stacking energy: -35.002
Base-Backbone interact. energy: 0.504
local terms energy: -56.222546
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -94.771357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771357 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.180
local terms energy: -57.550045
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -89.989413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.989413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.989413 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -31.183
Base-Backbone interact. energy: -0.142
local terms energy: -58.664181
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -81.275456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.275456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.275456 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -28.779
Base-Backbone interact. energy: -0.083
local terms energy: -42.017895
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -6.665
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: 400
Temperature: 1.300000
Total energy: -89.340869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340869 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.005
local terms energy: -55.301092
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -80.003775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003775 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.712
local terms energy: -52.044222
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -8.977
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -188.608307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.608307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.608307 (E_RNA)
where:
Base-Base interactions energy: -115.003
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.017
local terms energy: -73.588827
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -201.649657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649657 (E_RNA)
where:
Base-Base interactions energy: -116.312
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.174
local terms energy: -85.162916
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -188.962860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.962860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.962860 (E_RNA)
where:
Base-Base interactions energy: -115.685
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.085
local terms energy: -73.192822
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -119.917772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.917772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.917772 (E_RNA)
where:
Base-Base interactions energy: -62.762
where: short stacking energy: -36.491
Base-Backbone interact. energy: -0.092
local terms energy: -57.063543
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -6.086
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -106.781893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.781893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.781893 (E_RNA)
where:
Base-Base interactions energy: -53.328
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.046
local terms energy: -53.408107
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -94.274064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274064 (E_RNA)
where:
Base-Base interactions energy: -40.514
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.445
local terms energy: -53.314936
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -10.106
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: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -87.465345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.465345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.465345 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.112
local terms energy: -56.290486
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -80.921570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.921570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.921570 (E_RNA)
where:
Base-Base interactions energy: -26.234
where: short stacking energy: -20.759
Base-Backbone interact. energy: -0.123
local terms energy: -54.564543
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -82.764134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.764134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.764134 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.118
local terms energy: -49.982109
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.118690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.118690 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -27.664
Base-Backbone interact. energy: -0.473
local terms energy: -49.474422
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -202.039174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.039174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039174 (E_RNA)
where:
Base-Base interactions energy: -126.832
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.692
local terms energy: -74.514709
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -180.213104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.213104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.213104 (E_RNA)
where:
Base-Base interactions energy: -102.359
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.109
local terms energy: -77.745127
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -17.021
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: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -180.159681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.159681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.159681 (E_RNA)
where:
Base-Base interactions energy: -107.941
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.004
local terms energy: -72.214498
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -121.059793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.059793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.059793 (E_RNA)
where:
Base-Base interactions energy: -56.321
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.754
local terms energy: -63.984491
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -9.483
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: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -114.380796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.380796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.380796 (E_RNA)
where:
Base-Base interactions energy: -50.515
where: short stacking energy: -40.452
Base-Backbone interact. energy: 0.035
local terms energy: -63.901221
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -104.011640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.011640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.011640 (E_RNA)
where:
Base-Base interactions energy: -49.615
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.127
local terms energy: -54.269750
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -86.300967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300967 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.325
local terms energy: -51.065813
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -81.240588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240588 (E_RNA)
where:
Base-Base interactions energy: -26.483
where: short stacking energy: -26.683
Base-Backbone interact. energy: -0.801
local terms energy: -53.955902
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.467
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: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -87.120865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120865 (E_RNA)
where:
Base-Base interactions energy: -36.783
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.208
local terms energy: -50.129745
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -82.546191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.546191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.546191 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.010
local terms energy: -52.170808
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -7.344
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: 403
Temperature: 0.900000
Total energy: -196.800728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.800728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.800728 (E_RNA)
where:
Base-Base interactions energy: -119.968
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.006
local terms energy: -76.826885
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -193.800527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.800527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.800527 (E_RNA)
where:
Base-Base interactions energy: -113.484
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.309
local terms energy: -80.007262
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -166.832344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.832344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.832344 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.000
local terms energy: -61.706526
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -105.602088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.602088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.602088 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -34.693
Base-Backbone interact. energy: -0.320
local terms energy: -62.382380
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -9.116
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -115.508578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.508578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.508578 (E_RNA)
where:
Base-Base interactions energy: -49.661
where: short stacking energy: -40.250
Base-Backbone interact. energy: -0.051
local terms energy: -65.796582
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -12.689
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: 403
Temperature: 1.150000
Total energy: -95.891248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.891248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.891248 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -37.961
Base-Backbone interact. energy: -0.007
local terms energy: -57.410475
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -92.226834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226834 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -27.910
Base-Backbone interact. energy: -0.135
local terms energy: -46.817059
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -7.307
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: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -90.900780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900780 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.327
local terms energy: -53.057961
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.098
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -79.124770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.124770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.124770 (E_RNA)
where:
Base-Base interactions energy: -23.353
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.084
local terms energy: -55.686936
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -71.330265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.330265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.330265 (E_RNA)
where:
Base-Base interactions energy: -24.444
where: short stacking energy: -19.654
Base-Backbone interact. energy: 1.110
local terms energy: -47.996688
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -199.698098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.698098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698098 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -72.760
Base-Backbone interact. energy: -0.158
local terms energy: -77.550314
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -187.717263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.717263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.717263 (E_RNA)
where:
Base-Base interactions energy: -116.395
where: short stacking energy: -64.577
Base-Backbone interact. energy: 0.021
local terms energy: -71.342966
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -168.712490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.712490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.712490 (E_RNA)
where:
Base-Base interactions energy: -103.064
where: short stacking energy: -48.426
Base-Backbone interact. energy: -1.093
local terms energy: -64.555910
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -115.456165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456165 (E_RNA)
where:
Base-Base interactions energy: -54.785
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.154
local terms energy: -60.517704
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.334
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: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -121.113396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.113396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.113396 (E_RNA)
where:
Base-Base interactions energy: -54.505
where: short stacking energy: -40.409
Base-Backbone interact. energy: -0.183
local terms energy: -66.425820
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -12.148
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: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -94.376743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.376743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.376743 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -37.529
Base-Backbone interact. energy: 0.082
local terms energy: -55.680549
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -95.041334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.041334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.041334 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -39.850
Base-Backbone interact. energy: -0.065
local terms energy: -48.670439
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -102.526111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.526111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.526111 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.019
local terms energy: -64.384481
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -5.163
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: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -87.822733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.822733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.822733 (E_RNA)
where:
Base-Base interactions energy: -44.232
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.708
local terms energy: -42.882906
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -72.538578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.538578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.538578 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -29.511
Base-Backbone interact. energy: -0.250
local terms energy: -38.644829
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -5.516
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -194.961158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.961158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.961158 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.040
local terms energy: -77.865109
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -170.347810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.347810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.347810 (E_RNA)
where:
Base-Base interactions energy: -106.317
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.046
local terms energy: -63.984603
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -189.047571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.047571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.047571 (E_RNA)
where:
Base-Base interactions energy: -115.667
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.027
local terms energy: -73.353551
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -10.865
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: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -163.483834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.483834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.483834 (E_RNA)
where:
Base-Base interactions energy: -103.510
where: short stacking energy: -53.359
Base-Backbone interact. energy: 0.491
local terms energy: -60.465314
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -128.988441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.988441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.988441 (E_RNA)
where:
Base-Base interactions energy: -64.057
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.806
local terms energy: -64.125306
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -95.348697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.348697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.348697 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.514
local terms energy: -49.369701
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -84.452031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.452031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.452031 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -33.195
Base-Backbone interact. energy: -0.649
local terms energy: -49.267714
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -82.446492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.446492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.446492 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.242
local terms energy: -46.220550
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -1.748
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: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -81.018388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.018388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.018388 (E_RNA)
where:
Base-Base interactions energy: -34.470
where: short stacking energy: -27.054
Base-Backbone interact. energy: 3.842
local terms energy: -50.390221
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -78.672966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.672966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.672966 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -20.918
Base-Backbone interact. energy: -0.174
local terms energy: -44.964505
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.422
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: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -195.017257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.017257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.017257 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.027
local terms energy: -78.890144
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -172.402334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.402334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.402334 (E_RNA)
where:
Base-Base interactions energy: -104.550
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.090
local terms energy: -67.762110
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -13.557
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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -170.196763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.196763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.196763 (E_RNA)
where:
Base-Base interactions energy: -99.961
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.929
local terms energy: -69.306509
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.298
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: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -182.831174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.831174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.831174 (E_RNA)
where:
Base-Base interactions energy: -119.208
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.129
local terms energy: -63.494393
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -105.419540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.419540 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.155
local terms energy: -58.038097
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -105.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.636222 (E_RNA)
where:
Base-Base interactions energy: -43.804
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.047
local terms energy: -61.784853
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -90.053597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.053597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.053597 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.659
local terms energy: -53.143087
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -7.344
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: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -82.536828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536828 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.046
local terms energy: -46.099580
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: 0.898
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -77.072506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.072506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.072506 (E_RNA)
where:
Base-Base interactions energy: -24.714
where: short stacking energy: -19.269
Base-Backbone interact. energy: -0.506
local terms energy: -51.852431
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -71.219431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.219431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.219431 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -10.857
Base-Backbone interact. energy: -0.368
local terms energy: -39.401368
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -3.105
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: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -200.772059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.772059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772059 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.007
local terms energy: -72.291354
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -15.226
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: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -191.210698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.210698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.210698 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.479
local terms energy: -71.423062
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.377
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: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -155.431854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.431854 (E_RNA)
where:
Base-Base interactions energy: -94.369
where: short stacking energy: -48.951
Base-Backbone interact. energy: -0.053
local terms energy: -61.009508
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -178.646952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.646952 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.119
local terms energy: -65.469881
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -108.137613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.137613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.137613 (E_RNA)
where:
Base-Base interactions energy: -47.744
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.448
local terms energy: -59.945595
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -7.907
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -104.681516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.681516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.681516 (E_RNA)
where:
Base-Base interactions energy: -49.528
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.280
local terms energy: -54.874258
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -83.404210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.404210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.404210 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -26.227
Base-Backbone interact. energy: -0.052
local terms energy: -47.303844
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -86.016876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.016876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.016876 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.299
local terms energy: -52.484854
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -87.136757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136757 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.134
local terms energy: -49.583253
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -72.517883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.517883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.517883 (E_RNA)
where:
Base-Base interactions energy: -21.442
where: short stacking energy: -21.087
Base-Backbone interact. energy: -0.549
local terms energy: -50.527037
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -1.072
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: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -192.999969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.999969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.999969 (E_RNA)
where:
Base-Base interactions energy: -115.093
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.003
local terms energy: -77.903718
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -197.376344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.376344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.376344 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.047
local terms energy: -69.973770
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -186.650267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.650267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.650267 (E_RNA)
where:
Base-Base interactions energy: -122.594
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.101
local terms energy: -63.954624
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -121.864629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.864629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.864629 (E_RNA)
where:
Base-Base interactions energy: -58.931
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.502
local terms energy: -62.432144
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -108.124349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.124349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.124349 (E_RNA)
where:
Base-Base interactions energy: -52.687
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.028
local terms energy: -55.409479
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -113.349230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.349230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.349230 (E_RNA)
where:
Base-Base interactions energy: -55.046
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.391
local terms energy: -57.912685
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -3.402
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: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -85.155472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155472 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.217
local terms energy: -51.204761
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -6.713
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: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -83.790580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.790580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.790580 (E_RNA)
where:
Base-Base interactions energy: -33.363
where: short stacking energy: -27.756
Base-Backbone interact. energy: 1.863
local terms energy: -52.289887
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -90.219989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219989 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -41.074
Base-Backbone interact. energy: -0.244
local terms energy: -48.901223
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -9.659
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -10.602
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: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -79.101180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101180 (E_RNA)
where:
Base-Base interactions energy: -21.219
where: short stacking energy: -21.219
Base-Backbone interact. energy: -0.084
local terms energy: -57.798583
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.966
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: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -190.490992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.490992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490992 (E_RNA)
where:
Base-Base interactions energy: -113.797
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.019
local terms energy: -76.674939
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -188.148965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148965 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -42.417
Base-Backbone interact. energy: 0.349
local terms energy: -66.558229
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -186.967528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.967528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.967528 (E_RNA)
where:
Base-Base interactions energy: -114.643
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.012
local terms energy: -72.313425
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.206
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: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -114.509955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.509955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.509955 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -43.927
Base-Backbone interact. energy: 0.028
local terms energy: -69.910534
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -14.995
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: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -133.991422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.991422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.991422 (E_RNA)
where:
Base-Base interactions energy: -76.808
where: short stacking energy: -37.564
Base-Backbone interact. energy: -0.432
local terms energy: -56.751022
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -6.621
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: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -109.771239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.771239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.771239 (E_RNA)
where:
Base-Base interactions energy: -54.476
where: short stacking energy: -26.214
Base-Backbone interact. energy: -1.011
local terms energy: -54.284878
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -2.488
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: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -94.164613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.164613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.164613 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -34.903
Base-Backbone interact. energy: -0.719
local terms energy: -53.993595
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -84.137814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.137814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.137814 (E_RNA)
where:
Base-Base interactions energy: -33.698
where: short stacking energy: -35.423
Base-Backbone interact. energy: -0.140
local terms energy: -50.299600
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -79.342997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.342997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.342997 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -31.359
Base-Backbone interact. energy: -0.961
local terms energy: -46.490682
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -3.118
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -79.742976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.742976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.742976 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.528
local terms energy: -46.551215
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: 0.654
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: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -191.516884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516884 (E_RNA)
where:
Base-Base interactions energy: -113.705
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.398
local terms energy: -77.414742
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.229
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: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -171.279745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.279745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.279745 (E_RNA)
where:
Base-Base interactions energy: -104.127
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.057
local terms energy: -67.096369
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -12.626
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: 410
Temperature: 1.000000
Total energy: -177.370592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.370592 (E_RNA)
where:
Base-Base interactions energy: -109.884
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.071
local terms energy: -67.415726
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -117.040656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.040656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.040656 (E_RNA)
where:
Base-Base interactions energy: -56.661
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.464
local terms energy: -59.915902
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -8.980
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -99.280356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.280356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.280356 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -20.751
Base-Backbone interact. energy: -0.038
local terms energy: -57.425000
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -6.455
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: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -90.705300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.705300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.705300 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -30.707
Base-Backbone interact. energy: -0.654
local terms energy: -55.809424
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -87.111990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111990 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -18.386
Base-Backbone interact. energy: -0.420
local terms energy: -45.761044
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -90.608456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.608456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.608456 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.052
local terms energy: -48.090742
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -89.238197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.238197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.238197 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -30.953
Base-Backbone interact. energy: -0.400
local terms energy: -48.643500
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -2.173
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: 410
Temperature: 1.350000
Total energy: -85.508902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508902 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -38.088
Base-Backbone interact. energy: 2.071
local terms energy: -49.491494
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -200.498080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.498080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.498080 (E_RNA)
where:
Base-Base interactions energy: -125.248
where: short stacking energy: -67.045
Base-Backbone interact. energy: -0.037
local terms energy: -75.212551
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -17.130
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: 411
Temperature: 0.950000
Total energy: -196.801275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.801275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.801275 (E_RNA)
where:
Base-Base interactions energy: -124.875
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.418
local terms energy: -71.508477
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -18.730
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -179.144866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.144866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.144866 (E_RNA)
where:
Base-Base interactions energy: -113.494
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.400
local terms energy: -65.251311
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -113.770923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.770923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.770923 (E_RNA)
where:
Base-Base interactions energy: -51.728
where: short stacking energy: -43.733
Base-Backbone interact. energy: -0.108
local terms energy: -61.935492
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.298
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: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -104.211976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.211976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.211976 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -45.457
Base-Backbone interact. energy: -0.031
local terms energy: -55.529764
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -7.338
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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -114.953811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.953811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.953811 (E_RNA)
where:
Base-Base interactions energy: -58.702
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.414
local terms energy: -55.838236
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -99.855565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.855565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.855565 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.138
local terms energy: -58.774979
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.342
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -84.929461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.929461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.929461 (E_RNA)
where:
Base-Base interactions energy: -39.990
where: short stacking energy: -28.471
Base-Backbone interact. energy: -1.028
local terms energy: -43.911901
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -3.671
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.774730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.774730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.774730 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -19.319
Base-Backbone interact. energy: -0.831
local terms energy: -52.379976
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -76.751561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.751561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.751561 (E_RNA)
where:
Base-Base interactions energy: -29.791
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.109
local terms energy: -46.851489
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -7.737
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -197.874363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.874363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.874363 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -71.771
Base-Backbone interact. energy: -0.018
local terms energy: -77.548701
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -187.436259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.436259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.436259 (E_RNA)
where:
Base-Base interactions energy: -115.113
where: short stacking energy: -63.922
Base-Backbone interact. energy: -0.325
local terms energy: -71.998397
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -178.233212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.233212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.233212 (E_RNA)
where:
Base-Base interactions energy: -109.069
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.138
local terms energy: -69.025801
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -13.568
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: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -110.787300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.787300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.787300 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.009
local terms energy: -61.303745
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.067
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: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -124.136922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.136922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.136922 (E_RNA)
where:
Base-Base interactions energy: -70.022
where: short stacking energy: -45.570
Base-Backbone interact. energy: -0.594
local terms energy: -53.521116
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -109.425790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.425790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.425790 (E_RNA)
where:
Base-Base interactions energy: -48.579
where: short stacking energy: -46.793
Base-Backbone interact. energy: -0.180
local terms energy: -60.666399
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -99.706527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.706527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.706527 (E_RNA)
where:
Base-Base interactions energy: -48.035
where: short stacking energy: -37.994
Base-Backbone interact. energy: -0.606
local terms energy: -51.065786
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.177
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: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -84.777822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777822 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.257
local terms energy: -55.568945
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -80.462246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.462246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.462246 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -29.375
Base-Backbone interact. energy: 0.995
local terms energy: -52.281464
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -71.490418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.490418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.490418 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -25.209
Base-Backbone interact. energy: -0.151
local terms energy: -46.130435
where:
bonds (distance) C4'-P energy: -5.780
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -7.092
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: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -193.881613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.881613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.881613 (E_RNA)
where:
Base-Base interactions energy: -114.995
where: short stacking energy: -67.345
Base-Backbone interact. energy: 0.234
local terms energy: -79.120327
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -16.875
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: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -175.070737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070737 (E_RNA)
where:
Base-Base interactions energy: -105.964
where: short stacking energy: -49.688
Base-Backbone interact. energy: -0.000
local terms energy: -69.105994
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -12.494
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -176.608845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.608845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.608845 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.214
local terms energy: -72.423573
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -12.745
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -120.937944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.937944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.937944 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.009
local terms energy: -66.828208
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -96.444750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.444750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.444750 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.188
local terms energy: -56.298958
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -7.338
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -92.102177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102177 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -31.482
Base-Backbone interact. energy: -1.110
local terms energy: -55.156628
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -5.313
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: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -101.076553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.076553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.076553 (E_RNA)
where:
Base-Base interactions energy: -40.676
where: short stacking energy: -40.676
Base-Backbone interact. energy: -0.037
local terms energy: -60.363321
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -81.580227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.580227 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -24.179
Base-Backbone interact. energy: -1.124
local terms energy: -46.086179
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -7.401
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -95.484070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.484070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.484070 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.169
local terms energy: -57.604336
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -6.098
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: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -88.555819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.555819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.555819 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.112
local terms energy: -47.349052
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.092
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: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -187.607270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.607270 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.024
local terms energy: -67.303820
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.321
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: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -189.515066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.515066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.515066 (E_RNA)
where:
Base-Base interactions energy: -116.193
where: short stacking energy: -69.653
Base-Backbone interact. energy: -1.195
local terms energy: -72.127471
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -175.495540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.495540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.495540 (E_RNA)
where:
Base-Base interactions energy: -105.737
where: short stacking energy: -51.871
Base-Backbone interact. energy: 0.080
local terms energy: -69.838186
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.796
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: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -122.696303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.696303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.696303 (E_RNA)
where:
Base-Base interactions energy: -61.284
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.253
local terms energy: -61.159369
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.087
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: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -100.258954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.258954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.258954 (E_RNA)
where:
Base-Base interactions energy: -40.656
where: short stacking energy: -37.381
Base-Backbone interact. energy: 0.019
local terms energy: -59.621942
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -98.514197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.514197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.514197 (E_RNA)
where:
Base-Base interactions energy: -44.050
where: short stacking energy: -41.543
Base-Backbone interact. energy: 2.876
local terms energy: -57.340623
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -8.630
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: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -87.722854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722854 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -21.146
Base-Backbone interact. energy: -0.121
local terms energy: -57.150002
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.151
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: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -91.193225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193225 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -42.070
Base-Backbone interact. energy: -0.019
local terms energy: -48.909430
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -5.049
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.933
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: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -75.133789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.133789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.133789 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -19.241
Base-Backbone interact. energy: -0.255
local terms energy: -46.230516
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: 4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.388566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.388566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.388566 (E_RNA)
where:
Base-Base interactions energy: -24.755
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.005
local terms energy: -51.628789
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -186.005543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.005543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.005543 (E_RNA)
where:
Base-Base interactions energy: -106.695
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.008
local terms energy: -79.302906
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -184.725145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.725145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.725145 (E_RNA)
where:
Base-Base interactions energy: -111.852
where: short stacking energy: -61.401
Base-Backbone interact. energy: 0.232
local terms energy: -73.105275
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -14.828
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -145.607869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.607869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.607869 (E_RNA)
where:
Base-Base interactions energy: -87.050
where: short stacking energy: -44.766
Base-Backbone interact. energy: 0.094
local terms energy: -58.651421
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -7.611
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: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -125.139661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.139661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.139661 (E_RNA)
where:
Base-Base interactions energy: -67.389
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.248
local terms energy: -57.502991
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -98.953445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953445 (E_RNA)
where:
Base-Base interactions energy: -48.579
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.014
local terms energy: -50.360447
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -98.792274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.792274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.792274 (E_RNA)
where:
Base-Base interactions energy: -42.746
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.057
local terms energy: -55.989198
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.228
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -89.225510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225510 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.159
local terms energy: -48.811907
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -10.058
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: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -82.113568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113568 (E_RNA)
where:
Base-Base interactions energy: -29.905
where: short stacking energy: -29.905
Base-Backbone interact. energy: 1.767
local terms energy: -53.975458
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -8.247
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: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -85.158194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158194 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.195
local terms energy: -50.847982
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -77.834429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834429 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -25.244
Base-Backbone interact. energy: -0.293
local terms energy: -49.036218
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -192.179850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.179850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.179850 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.005
local terms energy: -82.050479
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -192.688402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.688402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.688402 (E_RNA)
where:
Base-Base interactions energy: -110.998
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.001
local terms energy: -81.688984
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -119.889187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.889187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.889187 (E_RNA)
where:
Base-Base interactions energy: -62.080
where: short stacking energy: -53.406
Base-Backbone interact. energy: -0.235
local terms energy: -57.574357
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.050
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: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -147.686271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.686271 (E_RNA)
where:
Base-Base interactions energy: -84.893
where: short stacking energy: -41.417
Base-Backbone interact. energy: -0.542
local terms energy: -62.251563
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -108.390125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.390125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.390125 (E_RNA)
where:
Base-Base interactions energy: -45.653
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.126
local terms energy: -62.611808
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -11.601
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -98.339510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.339510 (E_RNA)
where:
Base-Base interactions energy: -43.611
where: short stacking energy: -39.331
Base-Backbone interact. energy: -0.092
local terms energy: -54.636097
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -100.211955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.211955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.211955 (E_RNA)
where:
Base-Base interactions energy: -43.276
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.019
local terms energy: -56.917696
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -91.138357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138357 (E_RNA)
where:
Base-Base interactions energy: -44.060
where: short stacking energy: -42.570
Base-Backbone interact. energy: -0.200
local terms energy: -46.878422
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.458057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458057 (E_RNA)
where:
Base-Base interactions energy: -44.789
where: short stacking energy: -35.264
Base-Backbone interact. energy: 0.753
local terms energy: -47.421896
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -4.449
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: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -75.923865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.923865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.923865 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -25.289
Base-Backbone interact. energy: -0.249
local terms energy: -44.391850
where:
bonds (distance) C4'-P energy: -5.420
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: 4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -192.421081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.421081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.421081 (E_RNA)
where:
Base-Base interactions energy: -120.411
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.002
local terms energy: -72.008328
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -193.244856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.244856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.244856 (E_RNA)
where:
Base-Base interactions energy: -121.866
where: short stacking energy: -71.745
Base-Backbone interact. energy: -0.528
local terms energy: -70.850335
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -121.699517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.699517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.699517 (E_RNA)
where:
Base-Base interactions energy: -55.674
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.125
local terms energy: -65.900900
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -110.875133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.875133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.875133 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -42.373
Base-Backbone interact. energy: -0.059
local terms energy: -68.443249
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.267
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: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -113.205344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.205344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.205344 (E_RNA)
where:
Base-Base interactions energy: -56.324
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.405
local terms energy: -56.476676
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -115.999140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.999140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.999140 (E_RNA)
where:
Base-Base interactions energy: -48.086
where: short stacking energy: -48.086
Base-Backbone interact. energy: -0.227
local terms energy: -67.685896
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -86.198892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198892 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -26.571
Base-Backbone interact. energy: -0.163
local terms energy: -56.504860
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.117
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: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -93.670003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.670003 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -40.647
Base-Backbone interact. energy: -0.196
local terms energy: -52.826997
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -7.866
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: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -87.175298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.175298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.175298 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.119
local terms energy: -53.410769
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -71.406411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.406411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.406411 (E_RNA)
where:
Base-Base interactions energy: -25.745
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.506
local terms energy: -45.156136
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -204.762580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.762580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.762580 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -67.188
Base-Backbone interact. energy: 0.260
local terms energy: -77.949860
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -194.680105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.680105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.680105 (E_RNA)
where:
Base-Base interactions energy: -119.863
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.288
local terms energy: -74.529789
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -123.366168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.366168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.366168 (E_RNA)
where:
Base-Base interactions energy: -56.819
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.004
local terms energy: -66.543825
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -112.657068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.657068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.657068 (E_RNA)
where:
Base-Base interactions energy: -59.618
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.880
local terms energy: -52.158378
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -102.820862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.820862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.820862 (E_RNA)
where:
Base-Base interactions energy: -46.373
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.151
local terms energy: -56.297018
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.208
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -101.964404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964404 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -44.513
Base-Backbone interact. energy: -0.145
local terms energy: -57.306165
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -81.868778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868778 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -18.982
Base-Backbone interact. energy: -0.326
local terms energy: -38.630574
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: 4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -82.471467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471467 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.172
local terms energy: -44.977527
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -82.711559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711559 (E_RNA)
where:
Base-Base interactions energy: -27.637
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.666
local terms energy: -54.408959
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -72.917459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.917459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.917459 (E_RNA)
where:
Base-Base interactions energy: -25.963
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.248
local terms energy: -46.707136
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -195.957279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957279 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.524
local terms energy: -79.802788
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -12.615
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: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -181.297090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.297090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.297090 (E_RNA)
where:
Base-Base interactions energy: -116.685
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.131
local terms energy: -64.481505
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -127.595243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.595243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.595243 (E_RNA)
where:
Base-Base interactions energy: -61.157
where: short stacking energy: -48.681
Base-Backbone interact. energy: -0.004
local terms energy: -66.434011
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -13.185
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: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -116.260441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.260441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.260441 (E_RNA)
where:
Base-Base interactions energy: -46.079
where: short stacking energy: -46.079
Base-Backbone interact. energy: -0.208
local terms energy: -69.973274
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -10.357
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: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -135.245394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.245394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.245394 (E_RNA)
where:
Base-Base interactions energy: -78.886
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.498
local terms energy: -55.861399
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -101.875250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.875250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.875250 (E_RNA)
where:
Base-Base interactions energy: -46.203
where: short stacking energy: -27.258
Base-Backbone interact. energy: -0.445
local terms energy: -55.227948
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -83.250432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250432 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -28.875
Base-Backbone interact. energy: 0.050
local terms energy: -49.055185
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -83.733256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.733256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.733256 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -30.819
Base-Backbone interact. energy: 0.664
local terms energy: -52.948617
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -91.110765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.110765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.110765 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -26.788
Base-Backbone interact. energy: -0.199
local terms energy: -58.269754
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -78.237717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237717 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -26.839
Base-Backbone interact. energy: 1.408
local terms energy: -52.091209
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -191.139830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.139830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.139830 (E_RNA)
where:
Base-Base interactions energy: -119.506
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.314
local terms energy: -71.319872
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -157.602207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.602207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.602207 (E_RNA)
where:
Base-Base interactions energy: -91.858
where: short stacking energy: -51.602
Base-Backbone interact. energy: -0.628
local terms energy: -65.116674
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -145.894292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.894292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.894292 (E_RNA)
where:
Base-Base interactions energy: -69.426
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.069
local terms energy: -76.399231
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -9.019
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: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -98.091194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.091194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.091194 (E_RNA)
where:
Base-Base interactions energy: -46.175
where: short stacking energy: -38.545
Base-Backbone interact. energy: -0.177
local terms energy: -51.739644
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -112.401641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.401641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.401641 (E_RNA)
where:
Base-Base interactions energy: -52.249
where: short stacking energy: -28.377
Base-Backbone interact. energy: -0.175
local terms energy: -59.978281
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -104.683437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.683437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.683437 (E_RNA)
where:
Base-Base interactions energy: -61.342
where: short stacking energy: -28.938
Base-Backbone interact. energy: 2.428
local terms energy: -45.769615
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -84.370078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370078 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.064
local terms energy: -53.199324
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -94.020253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.020253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.020253 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -33.556
Base-Backbone interact. energy: -0.131
local terms energy: -58.378103
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -83.323277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323277 (E_RNA)
where:
Base-Base interactions energy: -26.996
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.119
local terms energy: -56.208990
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -82.374698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.374698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.374698 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -27.164
Base-Backbone interact. energy: 0.487
local terms energy: -55.341481
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -193.470762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.470762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.470762 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.512
local terms energy: -78.146995
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -170.218101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.218101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.218101 (E_RNA)
where:
Base-Base interactions energy: -98.550
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.206
local terms energy: -71.461554
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -116.696923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.696923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.696923 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -43.492
Base-Backbone interact. energy: -0.248
local terms energy: -64.139269
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -110.680008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680008 (E_RNA)
where:
Base-Base interactions energy: -54.043
where: short stacking energy: -45.843
Base-Backbone interact. energy: -0.020
local terms energy: -56.617083
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -3.171
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: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -99.942041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.942041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.942041 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -31.260
Base-Backbone interact. energy: -0.020
local terms energy: -59.857409
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.760
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: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -104.739838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.739838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.739838 (E_RNA)
where:
Base-Base interactions energy: -44.057
where: short stacking energy: -42.077
Base-Backbone interact. energy: -0.008
local terms energy: -60.674257
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -82.513971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.513971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.513971 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.361
local terms energy: -48.481798
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -87.467606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467606 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.037
local terms energy: -51.275136
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -74.078329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.078329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.078329 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -22.673
Base-Backbone interact. energy: -0.199
local terms energy: -39.674695
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: 4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -73.532562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.532562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.532562 (E_RNA)
where:
Base-Base interactions energy: -21.234
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.167
local terms energy: -52.131001
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -8.616
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -196.939504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.939504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.939504 (E_RNA)
where:
Base-Base interactions energy: -118.956
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.062
local terms energy: -77.922299
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -151.270402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.270402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.270402 (E_RNA)
where:
Base-Base interactions energy: -78.877
where: short stacking energy: -44.891
Base-Backbone interact. energy: 0.172
local terms energy: -72.565501
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -9.283
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: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -132.192093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.192093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.192093 (E_RNA)
where:
Base-Base interactions energy: -61.495
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.127
local terms energy: -70.570119
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -129.837620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.837620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.837620 (E_RNA)
where:
Base-Base interactions energy: -75.923
where: short stacking energy: -38.225
Base-Backbone interact. energy: -0.222
local terms energy: -53.692298
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -7.493
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: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -120.893575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.893575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.893575 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -54.477
Base-Backbone interact. energy: 0.502
local terms energy: -66.919226
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -13.343
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: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -97.583817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583817 (E_RNA)
where:
Base-Base interactions energy: -42.341
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.013
local terms energy: -55.230032
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -93.454354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.454354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.454354 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.115
local terms energy: -52.566267
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -85.800748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800748 (E_RNA)
where:
Base-Base interactions energy: -27.249
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.046
local terms energy: -58.505801
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847963 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -28.156
Base-Backbone interact. energy: 1.577
local terms energy: -48.431453
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -85.850324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.850324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.850324 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -22.085
Base-Backbone interact. energy: -0.352
local terms energy: -43.647484
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -6.940
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -193.955307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.955307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.955307 (E_RNA)
where:
Base-Base interactions energy: -120.673
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.043
local terms energy: -73.239716
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -21.992
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: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -145.766919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.766919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.766919 (E_RNA)
where:
Base-Base interactions energy: -73.502
where: short stacking energy: -51.665
Base-Backbone interact. energy: -0.531
local terms energy: -71.733753
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -115.279691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.279691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.279691 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.002
local terms energy: -69.056230
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -129.086185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.086185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.086185 (E_RNA)
where:
Base-Base interactions energy: -59.260
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.088
local terms energy: -69.737585
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -112.274659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.274659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.274659 (E_RNA)
where:
Base-Base interactions energy: -52.097
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.103
local terms energy: -60.075026
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -9.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -99.933213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.933213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.933213 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -28.426
Base-Backbone interact. energy: -0.356
local terms energy: -51.918537
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -90.340529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.340529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.340529 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.154
local terms energy: -55.658254
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -82.975417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.975417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.975417 (E_RNA)
where:
Base-Base interactions energy: -27.016
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.631
local terms energy: -55.328645
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.063
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.366664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.366664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.366664 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.788
Base-Backbone interact. energy: 0.023
local terms energy: -53.601731
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -6.552
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -8.229
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: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -79.756567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756567 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -26.344
Base-Backbone interact. energy: 0.078
local terms energy: -51.919167
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -211.764078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.764078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.764078 (E_RNA)
where:
Base-Base interactions energy: -125.524
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.833
local terms energy: -85.407076
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -138.928387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.928387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.928387 (E_RNA)
where:
Base-Base interactions energy: -69.921
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.017
local terms energy: -68.990911
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -149.385814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.385814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.385814 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.353
local terms energy: -59.095938
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -120.763064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.763064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.763064 (E_RNA)
where:
Base-Base interactions energy: -58.753
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.030
local terms energy: -61.980104
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.463
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -102.873833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.873833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.873833 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -41.200
Base-Backbone interact. energy: -0.018
local terms energy: -61.558432
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -9.093
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: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -84.203544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203544 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.065
local terms energy: -45.037668
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -88.063814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.063814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.063814 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.095
local terms energy: -54.536304
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -81.172732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.172732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.172732 (E_RNA)
where:
Base-Base interactions energy: -28.924
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.183
local terms energy: -52.066141
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.983684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983684 (E_RNA)
where:
Base-Base interactions energy: -36.999
where: short stacking energy: -22.654
Base-Backbone interact. energy: -0.858
local terms energy: -47.127284
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -76.010703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.010703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.010703 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.202
local terms energy: -44.940843
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -205.028172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.028172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.028172 (E_RNA)
where:
Base-Base interactions energy: -121.045
where: short stacking energy: -71.666
Base-Backbone interact. energy: -0.384
local terms energy: -83.598976
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.966
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -151.116205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.116205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.116205 (E_RNA)
where:
Base-Base interactions energy: -89.741
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.110
local terms energy: -61.265517
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -127.415522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.415522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.415522 (E_RNA)
where:
Base-Base interactions energy: -54.965
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.002
local terms energy: -72.449061
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -121.129748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.129748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.129748 (E_RNA)
where:
Base-Base interactions energy: -61.386
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.727
local terms energy: -59.016393
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -4.953
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: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -105.368635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.368635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.368635 (E_RNA)
where:
Base-Base interactions energy: -43.876
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.207
local terms energy: -61.285300
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -15.447
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: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -94.988108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988108 (E_RNA)
where:
Base-Base interactions energy: -36.566
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.011
local terms energy: -58.411030
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -7.278
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -86.228616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228616 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.125
local terms energy: -56.417181
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -92.303828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.303828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.303828 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.057
local terms energy: -53.250822
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -3.286
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -74.403438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.403438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.403438 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -26.469
Base-Backbone interact. energy: 1.370
local terms energy: -49.303975
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -2.936
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: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -72.594574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.594574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.594574 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -26.669
Base-Backbone interact. energy: -1.348
local terms energy: -39.369649
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -195.781006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781006 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.017
local terms energy: -77.672696
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -139.319125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.319125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.319125 (E_RNA)
where:
Base-Base interactions energy: -77.884
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.016
local terms energy: -61.419651
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -138.016559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.016559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.016559 (E_RNA)
where:
Base-Base interactions energy: -80.688
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.633
local terms energy: -56.695308
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -104.175806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.175806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.175806 (E_RNA)
where:
Base-Base interactions energy: -45.428
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.171
local terms energy: -58.577419
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -108.558592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.558592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.558592 (E_RNA)
where:
Base-Base interactions energy: -52.095
where: short stacking energy: -46.152
Base-Backbone interact. energy: -0.238
local terms energy: -56.225966
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -9.751
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: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -105.133454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.133454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.133454 (E_RNA)
where:
Base-Base interactions energy: -44.197
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.033
local terms energy: -60.903002
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -86.791339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791339 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -35.234
Base-Backbone interact. energy: 1.545
local terms energy: -49.315466
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.857733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857733 (E_RNA)
where:
Base-Base interactions energy: -36.939
where: short stacking energy: -35.861
Base-Backbone interact. energy: -0.282
local terms energy: -51.636923
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -77.429005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429005 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -29.775
Base-Backbone interact. energy: 0.195
local terms energy: -47.848709
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -67.191316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.191316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.191316 (E_RNA)
where:
Base-Base interactions energy: -25.546
where: short stacking energy: -25.546
Base-Backbone interact. energy: -0.148
local terms energy: -41.497661
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.936
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: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -204.379989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.379989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.379989 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.004
local terms energy: -84.759567
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -172.813529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.813529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.813529 (E_RNA)
where:
Base-Base interactions energy: -99.825
where: short stacking energy: -37.772
Base-Backbone interact. energy: -0.117
local terms energy: -72.871702
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -12.269
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: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -130.478488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.478488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.478488 (E_RNA)
where:
Base-Base interactions energy: -57.416
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.000
local terms energy: -73.062216
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -18.798
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: 427
Temperature: 1.050000
Total energy: -125.309557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.309557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.309557 (E_RNA)
where:
Base-Base interactions energy: -69.331
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.394
local terms energy: -55.584316
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -109.990084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.990084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.990084 (E_RNA)
where:
Base-Base interactions energy: -52.321
where: short stacking energy: -38.895
Base-Backbone interact. energy: -0.178
local terms energy: -57.491199
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -97.948965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.948965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.948965 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.148
local terms energy: -59.935730
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -3.375
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: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -82.614734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.614734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.614734 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.197
local terms energy: -43.611012
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -94.641482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641482 (E_RNA)
where:
Base-Base interactions energy: -40.920
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.108
local terms energy: -53.613760
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -74.283568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.283568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.283568 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -24.337
Base-Backbone interact. energy: -1.119
local terms energy: -38.944063
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -75.974620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974620 (E_RNA)
where:
Base-Base interactions energy: -21.392
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.216
local terms energy: -54.367385
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -9.856
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: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -194.477216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.477216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.477216 (E_RNA)
where:
Base-Base interactions energy: -118.547
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.005
local terms energy: -75.925225
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -19.086
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: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -161.274673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.274673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.274673 (E_RNA)
where:
Base-Base interactions energy: -100.186
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.131
local terms energy: -60.958031
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -122.506007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.506007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.506007 (E_RNA)
where:
Base-Base interactions energy: -56.867
where: short stacking energy: -49.568
Base-Backbone interact. energy: -0.000
local terms energy: -65.638981
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -113.961757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961757 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.298
local terms energy: -63.224148
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -96.923370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.923370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.923370 (E_RNA)
where:
Base-Base interactions energy: -39.423
where: short stacking energy: -34.239
Base-Backbone interact. energy: -0.139
local terms energy: -57.361431
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -106.719327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.719327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.719327 (E_RNA)
where:
Base-Base interactions energy: -47.823
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.024
local terms energy: -58.872215
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -99.846991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.846991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.846991 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.173
local terms energy: -60.675847
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.607089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.607089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.607089 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.808
local terms energy: -53.904979
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -79.191057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.191057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.191057 (E_RNA)
where:
Base-Base interactions energy: -24.190
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.480
local terms energy: -54.521004
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -83.303549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.303549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.303549 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.103
local terms energy: -49.997340
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -4.943
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -193.920960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920960 (E_RNA)
where:
Base-Base interactions energy: -120.200
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.015
local terms energy: -73.705745
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -136.212159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.212159 (E_RNA)
where:
Base-Base interactions energy: -65.114
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.003
local terms energy: -71.095441
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -170.465433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.465433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.465433 (E_RNA)
where:
Base-Base interactions energy: -103.442
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.190
local terms energy: -66.833083
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.141
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -105.902857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902857 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.052
local terms energy: -61.707014
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -5.013
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: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -108.535681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.535681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.535681 (E_RNA)
where:
Base-Base interactions energy: -45.572
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.231
local terms energy: -62.732616
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -17.621
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: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -103.760861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.760861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.760861 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.113
local terms energy: -61.393597
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -102.178664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.178664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.178664 (E_RNA)
where:
Base-Base interactions energy: -43.055
where: short stacking energy: -43.055
Base-Backbone interact. energy: 0.736
local terms energy: -59.860044
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -85.670715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670715 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.085
local terms energy: -53.699402
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -4.265
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: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -83.041424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.041424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.041424 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -28.505
Base-Backbone interact. energy: 5.812
local terms energy: -43.980724
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -82.227898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227898 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -24.144
Base-Backbone interact. energy: -0.190
local terms energy: -56.674767
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -193.635546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.635546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.635546 (E_RNA)
where:
Base-Base interactions energy: -115.940
where: short stacking energy: -65.738
Base-Backbone interact. energy: -0.013
local terms energy: -77.682705
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -131.319438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.319438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.319438 (E_RNA)
where:
Base-Base interactions energy: -57.678
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.327
local terms energy: -73.313548
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.032
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -168.258905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.258905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.258905 (E_RNA)
where:
Base-Base interactions energy: -101.233
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.015
local terms energy: -67.010916
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -104.484763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.484763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.484763 (E_RNA)
where:
Base-Base interactions energy: -45.751
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.002
local terms energy: -58.732036
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -106.879236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.879236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.879236 (E_RNA)
where:
Base-Base interactions energy: -57.702
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.371
local terms energy: -48.806509
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -7.343
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: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -97.609282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.609282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.609282 (E_RNA)
where:
Base-Base interactions energy: -50.245
where: short stacking energy: -29.173
Base-Backbone interact. energy: -1.333
local terms energy: -46.031406
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -91.199439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.199439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.199439 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.095
local terms energy: -55.659544
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -5.775
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -84.936438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.936438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.936438 (E_RNA)
where:
Base-Base interactions energy: -28.309
where: short stacking energy: -22.646
Base-Backbone interact. energy: 0.120
local terms energy: -56.747411
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -87.035710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.035710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.035710 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -14.088
Base-Backbone interact. energy: -0.126
local terms energy: -49.222983
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -77.458160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458160 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.685
local terms energy: -44.141671
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -190.980427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980427 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.175
local terms energy: -72.907041
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -12.427
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -174.341900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.341900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.341900 (E_RNA)
where:
Base-Base interactions energy: -109.465
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.574
local terms energy: -64.303049
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -11.679
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -111.511645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.511645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.511645 (E_RNA)
where:
Base-Base interactions energy: -42.474
where: short stacking energy: -42.474
Base-Backbone interact. energy: -0.203
local terms energy: -68.834602
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -11.914
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: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -121.127788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.127788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.127788 (E_RNA)
where:
Base-Base interactions energy: -56.562
where: short stacking energy: -35.280
Base-Backbone interact. energy: -1.887
local terms energy: -62.678550
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -9.733
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: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -94.911357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911357 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -34.997
Base-Backbone interact. energy: 0.419
local terms energy: -57.665501
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -104.860209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.860209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.860209 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.027
local terms energy: -60.830750
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -93.596752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.596752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.596752 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -21.319
Base-Backbone interact. energy: -0.019
local terms energy: -51.204091
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -1.895
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: 431
Temperature: 1.250000
Total energy: -87.086944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.086944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.086944 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -22.651
Base-Backbone interact. energy: 0.015
local terms energy: -49.983493
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -83.828613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.828613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.828613 (E_RNA)
where:
Base-Base interactions energy: -42.058
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.491
local terms energy: -41.279750
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: 1.436
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -100.342511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.342511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.342511 (E_RNA)
where:
Base-Base interactions energy: -51.299
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.144
local terms energy: -48.899939
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.238
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: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -195.944821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.944821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.944821 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.027
local terms energy: -81.101266
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -175.996216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.996216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.996216 (E_RNA)
where:
Base-Base interactions energy: -108.595
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.107
local terms energy: -67.293973
where:
bonds (distance) C4'-P energy: -7.227
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -17.715
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: 432
Temperature: 1.000000
Total energy: -123.785078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.785078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.785078 (E_RNA)
where:
Base-Base interactions energy: -72.206
where: short stacking energy: -34.429
Base-Backbone interact. energy: 0.471
local terms energy: -52.049956
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.182
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: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -107.925174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.925174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.925174 (E_RNA)
where:
Base-Base interactions energy: -50.043
where: short stacking energy: -49.041
Base-Backbone interact. energy: -0.002
local terms energy: -57.879397
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -111.203086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.203086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.203086 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -42.087
Base-Backbone interact. energy: -0.093
local terms energy: -67.842979
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -12.625
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: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -93.187005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.187005 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -25.362
Base-Backbone interact. energy: -0.094
local terms energy: -59.649986
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -106.956149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.956149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.956149 (E_RNA)
where:
Base-Base interactions energy: -58.434
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.309
local terms energy: -48.213637
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -3.079
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: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -93.419748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.419748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.419748 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -24.515
Base-Backbone interact. energy: -0.082
local terms energy: -54.392842
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -82.267685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.267685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.267685 (E_RNA)
where:
Base-Base interactions energy: -26.055
where: short stacking energy: -26.055
Base-Backbone interact. energy: -0.047
local terms energy: -56.165407
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -76.346247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.346247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.346247 (E_RNA)
where:
Base-Base interactions energy: -26.682
where: short stacking energy: -24.052
Base-Backbone interact. energy: -0.199
local terms energy: -49.465836
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: 0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -202.524193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.524193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.524193 (E_RNA)
where:
Base-Base interactions energy: -117.090
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.054
local terms energy: -85.380630
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -171.428794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.428794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.428794 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.009
local terms energy: -68.877781
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -113.394304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.394304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.394304 (E_RNA)
where:
Base-Base interactions energy: -47.362
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.079
local terms energy: -65.953944
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -112.051207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.051207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.051207 (E_RNA)
where:
Base-Base interactions energy: -47.474
where: short stacking energy: -47.474
Base-Backbone interact. energy: -0.008
local terms energy: -64.569494
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -10.306
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: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -103.100706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.100706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.100706 (E_RNA)
where:
Base-Base interactions energy: -50.869
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.573
local terms energy: -51.658528
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -9.767
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: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -105.765454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.765454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.765454 (E_RNA)
where:
Base-Base interactions energy: -42.454
where: short stacking energy: -42.282
Base-Backbone interact. energy: 0.011
local terms energy: -63.321923
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -9.060
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: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -95.237486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.237486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.237486 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -35.614
Base-Backbone interact. energy: -0.367
local terms energy: -58.270838
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -8.745
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -90.908514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908514 (E_RNA)
where:
Base-Base interactions energy: -42.976
where: short stacking energy: -20.145
Base-Backbone interact. energy: -0.229
local terms energy: -47.704355
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: 5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -80.026491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.026491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.026491 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.408
local terms energy: -46.165631
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.224699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.224699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.224699 (E_RNA)
where:
Base-Base interactions energy: -36.367
where: short stacking energy: -22.801
Base-Backbone interact. energy: -0.139
local terms energy: -45.718581
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -2.703
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: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -196.107038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.107038 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -70.229
Base-Backbone interact. energy: -0.050
local terms energy: -75.888865
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -177.277458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.277458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.277458 (E_RNA)
where:
Base-Base interactions energy: -98.502
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.014
local terms energy: -78.761618
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -20.562
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -136.316169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.316169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.316169 (E_RNA)
where:
Base-Base interactions energy: -74.676
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.130
local terms energy: -61.510569
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -4.783
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: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -112.607515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.607515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.607515 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -39.426
Base-Backbone interact. energy: -0.140
local terms energy: -69.948103
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -10.266
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: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -102.317900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.317900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.317900 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.091
local terms energy: -51.127631
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -6.229
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: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -99.062651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.062651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.062651 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.040
local terms energy: -56.720301
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -95.812620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.812620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.812620 (E_RNA)
where:
Base-Base interactions energy: -28.736
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.072
local terms energy: -67.004898
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -75.408886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.408886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.408886 (E_RNA)
where:
Base-Base interactions energy: -27.126
where: short stacking energy: -21.781
Base-Backbone interact. energy: 0.077
local terms energy: -48.359651
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -73.609677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.609677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.609677 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -23.591
Base-Backbone interact. energy: 0.280
local terms energy: -46.316032
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -77.313629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.313629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.313629 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -19.253
Base-Backbone interact. energy: -0.219
local terms energy: -46.356480
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -8.650
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -191.869942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869942 (E_RNA)
where:
Base-Base interactions energy: -114.034
where: short stacking energy: -67.254
Base-Backbone interact. energy: -1.738
local terms energy: -76.097611
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -18.912
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -174.883370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883370 (E_RNA)
where:
Base-Base interactions energy: -108.726
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.154
local terms energy: -66.004031
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -122.209846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.209846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.209846 (E_RNA)
where:
Base-Base interactions energy: -71.398
where: short stacking energy: -41.784
Base-Backbone interact. energy: -0.028
local terms energy: -50.784052
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -6.205
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: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -103.284251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.284251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.284251 (E_RNA)
where:
Base-Base interactions energy: -43.457
where: short stacking energy: -34.751
Base-Backbone interact. energy: -0.025
local terms energy: -59.801880
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -97.936300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.936300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.936300 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.141
local terms energy: -58.409796
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -4.034
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: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -87.600186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600186 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.321
local terms energy: -56.660700
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.963
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -87.652757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652757 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.164
local terms energy: -58.028840
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -87.138101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.138101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.138101 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.226
local terms energy: -58.020720
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -81.501347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.501347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.501347 (E_RNA)
where:
Base-Base interactions energy: -30.328
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.074
local terms energy: -51.100060
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -76.789744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.789744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.789744 (E_RNA)
where:
Base-Base interactions energy: -28.543
where: short stacking energy: -21.705
Base-Backbone interact. energy: 0.285
local terms energy: -48.532017
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -3.449
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: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -194.206281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.206281 (E_RNA)
where:
Base-Base interactions energy: -116.930
where: short stacking energy: -66.079
Base-Backbone interact. energy: 0.721
local terms energy: -77.996972
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -12.606
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -167.114155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.114155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.114155 (E_RNA)
where:
Base-Base interactions energy: -94.037
where: short stacking energy: -53.112
Base-Backbone interact. energy: -0.260
local terms energy: -72.817634
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -109.425843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.425843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.425843 (E_RNA)
where:
Base-Base interactions energy: -49.950
where: short stacking energy: -37.699
Base-Backbone interact. energy: -0.019
local terms energy: -59.456800
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -6.050
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: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -115.344536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.344536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.344536 (E_RNA)
where:
Base-Base interactions energy: -61.470
where: short stacking energy: -25.498
Base-Backbone interact. energy: -0.032
local terms energy: -53.842553
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -102.521193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521193 (E_RNA)
where:
Base-Base interactions energy: -44.079
where: short stacking energy: -33.635
Base-Backbone interact. energy: 0.118
local terms energy: -58.559736
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -96.971235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.971235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.971235 (E_RNA)
where:
Base-Base interactions energy: -43.657
where: short stacking energy: -33.561
Base-Backbone interact. energy: 0.075
local terms energy: -53.389176
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -95.124342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.124342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.124342 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -29.780
Base-Backbone interact. energy: -0.264
local terms energy: -56.372653
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -6.370
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: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -81.854775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.854775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.854775 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -31.878
Base-Backbone interact. energy: 0.062
local terms energy: -46.885975
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -3.100
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: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -85.962379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962379 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.132
local terms energy: -53.268276
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -78.183886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.183886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.183886 (E_RNA)
where:
Base-Base interactions energy: -21.790
where: short stacking energy: -21.790
Base-Backbone interact. energy: -0.138
local terms energy: -56.255848
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -204.014519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.014519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.014519 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.075
local terms energy: -81.286632
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -185.004479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.004479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.004479 (E_RNA)
where:
Base-Base interactions energy: -117.079
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.456
local terms energy: -67.468908
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -124.580580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.580580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.580580 (E_RNA)
where:
Base-Base interactions energy: -60.173
where: short stacking energy: -48.290
Base-Backbone interact. energy: -0.092
local terms energy: -64.316129
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -124.778391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.778391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.778391 (E_RNA)
where:
Base-Base interactions energy: -71.096
where: short stacking energy: -42.180
Base-Backbone interact. energy: 1.496
local terms energy: -55.179171
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -100.250780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250780 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.142
local terms energy: -58.969600
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -109.286147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.286147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.286147 (E_RNA)
where:
Base-Base interactions energy: -53.318
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.127
local terms energy: -55.841783
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -87.997398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997398 (E_RNA)
where:
Base-Base interactions energy: -38.808
where: short stacking energy: -25.082
Base-Backbone interact. energy: -0.251
local terms energy: -48.937671
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -88.658376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.658376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.658376 (E_RNA)
where:
Base-Base interactions energy: -35.588
where: short stacking energy: -31.924
Base-Backbone interact. energy: 1.614
local terms energy: -54.684566
where:
bonds (distance) C4'-P energy: -6.109
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -6.957
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: 437
Temperature: 1.300000
Total energy: -79.524457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524457 (E_RNA)
where:
Base-Base interactions energy: -24.856
where: short stacking energy: -20.316
Base-Backbone interact. energy: 0.418
local terms energy: -55.086027
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -6.598
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: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -76.720921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.720921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.720921 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -7.825
Base-Backbone interact. energy: -0.155
local terms energy: -47.701713
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -196.270139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.270139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.270139 (E_RNA)
where:
Base-Base interactions energy: -122.342
where: short stacking energy: -58.715
Base-Backbone interact. energy: -0.114
local terms energy: -73.814669
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.294
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: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -190.664046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.664046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.664046 (E_RNA)
where:
Base-Base interactions energy: -115.079
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.101
local terms energy: -75.483719
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -138.696969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.696969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.696969 (E_RNA)
where:
Base-Base interactions energy: -72.507
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.178
local terms energy: -66.011780
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -120.219632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.219632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.219632 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -53.665
Base-Backbone interact. energy: -0.030
local terms energy: -66.524586
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -115.887878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.887878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.887878 (E_RNA)
where:
Base-Base interactions energy: -64.893
where: short stacking energy: -48.528
Base-Backbone interact. energy: -1.063
local terms energy: -49.931684
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -10.263
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -100.530972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.530972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.530972 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -46.340
Base-Backbone interact. energy: 0.204
local terms energy: -54.266640
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -82.353055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.353055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.353055 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -27.476
Base-Backbone interact. energy: 2.191
local terms energy: -51.101365
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.229929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229929 (E_RNA)
where:
Base-Base interactions energy: -44.272
where: short stacking energy: -17.947
Base-Backbone interact. energy: 0.084
local terms energy: -41.041129
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -6.955
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -98.376106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.376106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.376106 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.201
local terms energy: -51.952387
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -75.509374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509374 (E_RNA)
where:
Base-Base interactions energy: -25.504
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.155
local terms energy: -49.849879
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -0.447
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: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -192.837003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.837003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.837003 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.088
local terms energy: -68.201998
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -193.857285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.857285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.857285 (E_RNA)
where:
Base-Base interactions energy: -117.552
where: short stacking energy: -67.457
Base-Backbone interact. energy: 1.299
local terms energy: -77.604674
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -137.622020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.622020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.622020 (E_RNA)
where:
Base-Base interactions energy: -72.973
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.276
local terms energy: -64.373990
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -13.956
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: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -107.675685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.675685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.675685 (E_RNA)
where:
Base-Base interactions energy: -45.593
where: short stacking energy: -44.138
Base-Backbone interact. energy: -0.128
local terms energy: -61.954506
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -9.272
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: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -108.453765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.453765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.453765 (E_RNA)
where:
Base-Base interactions energy: -43.402
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.344
local terms energy: -64.707431
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -99.009199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009199 (E_RNA)
where:
Base-Base interactions energy: -54.286
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.683
local terms energy: -44.039739
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -85.360760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.360760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.360760 (E_RNA)
where:
Base-Base interactions energy: -42.750
where: short stacking energy: -24.549
Base-Backbone interact. energy: 0.693
local terms energy: -43.303715
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -5.030
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: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -85.043824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043824 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -27.935
Base-Backbone interact. energy: -0.489
local terms energy: -49.457358
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -86.320676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320676 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -26.606
Base-Backbone interact. energy: 0.580
local terms energy: -58.220135
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.632539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632539 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.148
local terms energy: -47.159302
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -207.195430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.195430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.195430 (E_RNA)
where:
Base-Base interactions energy: -133.059
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.009
local terms energy: -74.128221
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.362
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: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -182.998885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.998885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.998885 (E_RNA)
where:
Base-Base interactions energy: -106.514
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.016
local terms energy: -76.469122
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -18.992
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: 440
Temperature: 1.000000
Total energy: -126.976801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.976801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.976801 (E_RNA)
where:
Base-Base interactions energy: -61.276
where: short stacking energy: -45.733
Base-Backbone interact. energy: -0.127
local terms energy: -65.573621
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -115.896307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.896307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.896307 (E_RNA)
where:
Base-Base interactions energy: -58.447
where: short stacking energy: -34.320
Base-Backbone interact. energy: 0.067
local terms energy: -57.515855
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -9.572
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: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -97.804488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.804488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.804488 (E_RNA)
where:
Base-Base interactions energy: -44.642
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.113
local terms energy: -53.049267
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -106.678220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.678220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.678220 (E_RNA)
where:
Base-Base interactions energy: -48.131
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.033
local terms energy: -58.514980
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -1.028
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -97.094308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094308 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -39.431
Base-Backbone interact. energy: -1.044
local terms energy: -54.086326
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -80.286047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.286047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.286047 (E_RNA)
where:
Base-Base interactions energy: -32.011
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.208
local terms energy: -48.066608
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.429
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: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -91.313116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313116 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.029
local terms energy: -58.222797
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -70.953837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.953837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.953837 (E_RNA)
where:
Base-Base interactions energy: -25.326
where: short stacking energy: -22.808
Base-Backbone interact. energy: -1.415
local terms energy: -44.213527
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -192.586877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.586877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.586877 (E_RNA)
where:
Base-Base interactions energy: -119.796
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.035
local terms energy: -72.756228
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -181.513187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.513187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.513187 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -53.652
Base-Backbone interact. energy: 0.506
local terms energy: -65.848275
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -138.024786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.024786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.024786 (E_RNA)
where:
Base-Base interactions energy: -76.693
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.006
local terms energy: -61.325960
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -6.390
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.369
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: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -128.647524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.647524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.647524 (E_RNA)
where:
Base-Base interactions energy: -69.530
where: short stacking energy: -38.902
Base-Backbone interact. energy: -0.146
local terms energy: -58.970996
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -135.184262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.184262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.184262 (E_RNA)
where:
Base-Base interactions energy: -72.358
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.152
local terms energy: -62.674013
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -8.963
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -87.145911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145911 (E_RNA)
where:
Base-Base interactions energy: -41.077
where: short stacking energy: -28.299
Base-Backbone interact. energy: -0.142
local terms energy: -45.927001
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -8.414
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: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -83.329954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.329954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.329954 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.167
local terms energy: -50.539247
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -91.666210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666210 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.210
local terms energy: -54.948789
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -6.059
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -80.827893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.827893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.827893 (E_RNA)
where:
Base-Base interactions energy: -29.093
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.058
local terms energy: -51.676982
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -70.150711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.150711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.150711 (E_RNA)
where:
Base-Base interactions energy: -24.915
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.056
local terms energy: -45.179245
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -4.533
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: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -164.291793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.291793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.291793 (E_RNA)
where:
Base-Base interactions energy: -92.339
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.009
local terms energy: -71.944218
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.588
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: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -191.587111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.587111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.587111 (E_RNA)
where:
Base-Base interactions energy: -117.256
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.011
local terms energy: -74.319990
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -13.013
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -147.290542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.290542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.290542 (E_RNA)
where:
Base-Base interactions energy: -76.651
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.004
local terms energy: -70.634945
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -124.999780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.999780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.999780 (E_RNA)
where:
Base-Base interactions energy: -51.575
where: short stacking energy: -48.024
Base-Backbone interact. energy: -0.003
local terms energy: -73.421654
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -8.448
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: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -112.411806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.411806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.411806 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -44.017
Base-Backbone interact. energy: -0.292
local terms energy: -64.674778
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -92.822505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.822505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.822505 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.419
local terms energy: -63.568375
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -12.792
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: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -82.497023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497023 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.344
local terms energy: -51.411105
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -86.364562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.364562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.364562 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.033
local terms energy: -50.777824
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -92.634838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.634838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.634838 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -34.425
Base-Backbone interact. energy: -0.060
local terms energy: -54.737746
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -5.907
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: 442
Temperature: 1.350000
Total energy: -85.624760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624760 (E_RNA)
where:
Base-Base interactions energy: -44.112
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.303
local terms energy: -41.209310
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -1.212
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -173.203824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.203824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.203824 (E_RNA)
where:
Base-Base interactions energy: -99.704
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.018
local terms energy: -73.481970
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -17.080
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -195.938510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.938510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.938510 (E_RNA)
where:
Base-Base interactions energy: -117.261
where: short stacking energy: -73.061
Base-Backbone interact. energy: -0.784
local terms energy: -77.893786
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -115.028282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.028282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.028282 (E_RNA)
where:
Base-Base interactions energy: -56.990
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.732
local terms energy: -57.306085
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -113.290234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.290234 (E_RNA)
where:
Base-Base interactions energy: -54.933
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.953
local terms energy: -57.404812
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -107.427653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.427653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.427653 (E_RNA)
where:
Base-Base interactions energy: -48.406
where: short stacking energy: -37.906
Base-Backbone interact. energy: -0.063
local terms energy: -58.958840
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -107.258966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.258966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.258966 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -43.265
Base-Backbone interact. energy: 0.023
local terms energy: -56.217413
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -87.177188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.177188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.177188 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.249
local terms energy: -53.939632
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.706
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -91.337061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337061 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.089
local terms energy: -53.892857
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -78.415011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415011 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.048
local terms energy: -48.936324
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -70.783851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.783851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.783851 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -23.831
Base-Backbone interact. energy: -0.437
local terms energy: -42.824112
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: 2.164
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -195.036583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.036583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.036583 (E_RNA)
where:
Base-Base interactions energy: -119.566
where: short stacking energy: -71.750
Base-Backbone interact. energy: -0.024
local terms energy: -75.447012
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.590
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -168.653926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.653926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.653926 (E_RNA)
where:
Base-Base interactions energy: -95.116
where: short stacking energy: -55.856
Base-Backbone interact. energy: -0.038
local terms energy: -73.500377
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -122.560123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.560123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.560123 (E_RNA)
where:
Base-Base interactions energy: -58.233
where: short stacking energy: -51.613
Base-Backbone interact. energy: -1.079
local terms energy: -63.248934
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -116.039085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.039085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.039085 (E_RNA)
where:
Base-Base interactions energy: -55.745
where: short stacking energy: -39.092
Base-Backbone interact. energy: -0.936
local terms energy: -59.357732
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -101.092918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.092918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.092918 (E_RNA)
where:
Base-Base interactions energy: -46.295
where: short stacking energy: -42.108
Base-Backbone interact. energy: -0.194
local terms energy: -54.604074
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -119.080862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.080862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.080862 (E_RNA)
where:
Base-Base interactions energy: -57.931
where: short stacking energy: -46.432
Base-Backbone interact. energy: 0.395
local terms energy: -61.544582
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -92.290038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.290038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.290038 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.188
local terms energy: -58.034150
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -90.399640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.399640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.399640 (E_RNA)
where:
Base-Base interactions energy: -35.722
where: short stacking energy: -27.025
Base-Backbone interact. energy: -0.463
local terms energy: -54.214285
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -84.821284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.821284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.821284 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.540
local terms energy: -46.524578
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -2.942
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: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -71.567154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.567154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.567154 (E_RNA)
where:
Base-Base interactions energy: -17.690
where: short stacking energy: -18.536
Base-Backbone interact. energy: -0.103
local terms energy: -53.773687
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -4.252
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: 445
Temperature: 0.900000
Total energy: -203.256364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.256364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.256364 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.018
local terms energy: -84.886248
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -160.476261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.476261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.476261 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.035
local terms energy: -73.340178
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -10.600
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: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -119.243896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.243896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.243896 (E_RNA)
where:
Base-Base interactions energy: -53.606
where: short stacking energy: -48.039
Base-Backbone interact. energy: -0.244
local terms energy: -65.393543
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.341
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: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -117.254134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.254134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.254134 (E_RNA)
where:
Base-Base interactions energy: -51.975
where: short stacking energy: -40.490
Base-Backbone interact. energy: -0.711
local terms energy: -64.567909
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -101.674197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.674197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.674197 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.148
local terms energy: -61.624554
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -6.194
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: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -111.286977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.286977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.286977 (E_RNA)
where:
Base-Base interactions energy: -56.454
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.023
local terms energy: -54.810642
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -7.672
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: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -104.730309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.730309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.730309 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.254
local terms energy: -62.831781
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.349
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -84.972171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.972171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.972171 (E_RNA)
where:
Base-Base interactions energy: -32.070
where: short stacking energy: -31.292
Base-Backbone interact. energy: -0.097
local terms energy: -52.804285
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.111
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -77.686414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.686414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.686414 (E_RNA)
where:
Base-Base interactions energy: -16.836
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.010
local terms energy: -60.840335
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -12.285
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: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -76.469666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.469666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.469666 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.735
local terms energy: -50.584177
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -206.374128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.374128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.374128 (E_RNA)
where:
Base-Base interactions energy: -128.470
where: short stacking energy: -81.783
Base-Backbone interact. energy: -0.003
local terms energy: -77.900748
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -175.548121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.548121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.548121 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -63.287
Base-Backbone interact. energy: 0.080
local terms energy: -75.396637
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -123.048964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.048964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.048964 (E_RNA)
where:
Base-Base interactions energy: -53.512
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.025
local terms energy: -69.512297
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -15.231
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: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -111.920692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.920692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.920692 (E_RNA)
where:
Base-Base interactions energy: -55.247
where: short stacking energy: -46.553
Base-Backbone interact. energy: -0.185
local terms energy: -56.488080
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -106.289434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.289434 (E_RNA)
where:
Base-Base interactions energy: -47.343
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.098
local terms energy: -58.848858
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -107.054690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.054690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.054690 (E_RNA)
where:
Base-Base interactions energy: -45.992
where: short stacking energy: -45.992
Base-Backbone interact. energy: -0.009
local terms energy: -61.052821
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -12.217
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -87.247492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.247492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.247492 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -16.775
Base-Backbone interact. energy: -0.108
local terms energy: -52.034233
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.351053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.351053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.351053 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -35.418
Base-Backbone interact. energy: -0.530
local terms energy: -53.403119
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -5.768
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: 446
Temperature: 1.300000
Total energy: -82.486029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.486029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.486029 (E_RNA)
where:
Base-Base interactions energy: -44.806
where: short stacking energy: -26.172
Base-Backbone interact. energy: -0.266
local terms energy: -37.413859
where:
bonds (distance) C4'-P energy: -5.553
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -80.048400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048400 (E_RNA)
where:
Base-Base interactions energy: -28.620
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.109
local terms energy: -51.318972
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -200.077753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.077753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.077753 (E_RNA)
where:
Base-Base interactions energy: -120.129
where: short stacking energy: -74.199
Base-Backbone interact. energy: 0.429
local terms energy: -80.377867
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -180.760840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.760840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.760840 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.132
local terms energy: -65.350480
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -10.819
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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -118.863542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.863542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.863542 (E_RNA)
where:
Base-Base interactions energy: -61.551
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.092
local terms energy: -57.219763
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -10.514
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: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -108.371773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.371773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.371773 (E_RNA)
where:
Base-Base interactions energy: -54.241
where: short stacking energy: -36.973
Base-Backbone interact. energy: -0.118
local terms energy: -54.012998
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -5.456
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: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -119.257035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.257035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.257035 (E_RNA)
where:
Base-Base interactions energy: -69.926
where: short stacking energy: -38.138
Base-Backbone interact. energy: -1.152
local terms energy: -48.178436
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -8.380
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: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -130.484812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.484812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.484812 (E_RNA)
where:
Base-Base interactions energy: -83.764
where: short stacking energy: -37.488
Base-Backbone interact. energy: -0.319
local terms energy: -46.401177
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -106.928846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.928846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.928846 (E_RNA)
where:
Base-Base interactions energy: -50.857
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.023
local terms energy: -56.048180
where:
bonds (distance) C4'-P energy: -5.383
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -86.543297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543297 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.138
local terms energy: -51.880535
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -9.144
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: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -87.146831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146831 (E_RNA)
where:
Base-Base interactions energy: -42.561
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.307
local terms energy: -44.278344
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -80.836626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836626 (E_RNA)
where:
Base-Base interactions energy: -22.435
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.012
local terms energy: -58.389034
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -204.298504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.298504 (E_RNA)
where:
Base-Base interactions energy: -129.309
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.007
local terms energy: -74.981907
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -16.925
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: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -178.838065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838065 (E_RNA)
where:
Base-Base interactions energy: -113.317
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.086
local terms energy: -65.435209
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -14.130
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: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -117.677529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.677529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.677529 (E_RNA)
where:
Base-Base interactions energy: -50.710
where: short stacking energy: -47.597
Base-Backbone interact. energy: -0.093
local terms energy: -66.874078
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.030
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: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -113.896465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.896465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.896465 (E_RNA)
where:
Base-Base interactions energy: -49.895
where: short stacking energy: -37.299
Base-Backbone interact. energy: -0.002
local terms energy: -63.999550
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -120.207079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.207079 (E_RNA)
where:
Base-Base interactions energy: -67.283
where: short stacking energy: -20.446
Base-Backbone interact. energy: -0.459
local terms energy: -52.464170
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -110.633857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.633857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.633857 (E_RNA)
where:
Base-Base interactions energy: -51.108
where: short stacking energy: -43.314
Base-Backbone interact. energy: -0.050
local terms energy: -59.475633
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -94.631740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.631740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.631740 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -31.736
Base-Backbone interact. energy: -1.653
local terms energy: -61.568554
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -14.030
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: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -99.759848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.759848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.759848 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -33.632
Base-Backbone interact. energy: -0.168
local terms energy: -53.365822
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -75.905250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905250 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -16.905
Base-Backbone interact. energy: -1.511
local terms energy: -49.384543
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -79.282754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.282754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.282754 (E_RNA)
where:
Base-Base interactions energy: -28.123
where: short stacking energy: -25.052
Base-Backbone interact. energy: -0.399
local terms energy: -50.760766
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -1.573
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -198.672490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.672490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.672490 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -71.354
Base-Backbone interact. energy: 0.408
local terms energy: -70.591174
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -171.143770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.143770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.143770 (E_RNA)
where:
Base-Base interactions energy: -95.561
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.113
local terms energy: -75.470278
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -16.241
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: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -113.201442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.201442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.201442 (E_RNA)
where:
Base-Base interactions energy: -57.976
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.134
local terms energy: -55.090976
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -6.846
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -130.317972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.317972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.317972 (E_RNA)
where:
Base-Base interactions energy: -60.814
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.001
local terms energy: -69.503763
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -98.973050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973050 (E_RNA)
where:
Base-Base interactions energy: -55.174
where: short stacking energy: -31.283
Base-Backbone interact. energy: -0.274
local terms energy: -43.524625
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: 0.811
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -99.486548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.486548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.486548 (E_RNA)
where:
Base-Base interactions energy: -44.852
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.370
local terms energy: -54.264995
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -91.267145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.267145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.267145 (E_RNA)
where:
Base-Base interactions energy: -31.282
where: short stacking energy: -31.282
Base-Backbone interact. energy: -1.224
local terms energy: -58.760807
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -98.206396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.206396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.206396 (E_RNA)
where:
Base-Base interactions energy: -49.560
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.063
local terms energy: -48.582829
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -79.920450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.920450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.920450 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -28.477
Base-Backbone interact. energy: 0.024
local terms energy: -48.679839
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -77.265254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.265254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.265254 (E_RNA)
where:
Base-Base interactions energy: -23.447
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.159
local terms energy: -53.659155
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -198.311466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.311466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.311466 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.000
local terms energy: -79.642607
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -168.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.920108 (E_RNA)
where:
Base-Base interactions energy: -103.507
where: short stacking energy: -53.865
Base-Backbone interact. energy: -0.003
local terms energy: -65.409706
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -14.605
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: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -135.554437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.554437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.554437 (E_RNA)
where:
Base-Base interactions energy: -72.045
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.057
local terms energy: -63.451897
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -10.983
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: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -121.393364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.393364 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -48.272
Base-Backbone interact. energy: 1.251
local terms energy: -63.808447
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.768
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: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -105.992293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.992293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.992293 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -41.136
Base-Backbone interact. energy: -0.170
local terms energy: -56.450099
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -4.440
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: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -91.057852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.057852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.057852 (E_RNA)
where:
Base-Base interactions energy: -35.506
where: short stacking energy: -30.662
Base-Backbone interact. energy: -0.029
local terms energy: -55.522633
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -9.198
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -87.768384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.768384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.768384 (E_RNA)
where:
Base-Base interactions energy: -35.251
where: short stacking energy: -34.920
Base-Backbone interact. energy: -0.190
local terms energy: -52.327883
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -7.338
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: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -97.128361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.128361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.128361 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.112
local terms energy: -60.632594
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -7.017
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: 450
Temperature: 1.300000
Total energy: -85.754227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754227 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -28.621
Base-Backbone interact. energy: 1.199
local terms energy: -49.850742
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -9.591
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: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -90.447409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447409 (E_RNA)
where:
Base-Base interactions energy: -48.900
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.115
local terms energy: -41.433202
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -7.846
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: 451
Temperature: 0.900000
Total energy: -196.673901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.673901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.673901 (E_RNA)
where:
Base-Base interactions energy: -118.636
where: short stacking energy: -75.174
Base-Backbone interact. energy: -0.036
local terms energy: -78.002091
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -185.778152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.778152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.778152 (E_RNA)
where:
Base-Base interactions energy: -113.444
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.101
local terms energy: -72.233018
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -18.027
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: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -130.025985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025985 (E_RNA)
where:
Base-Base interactions energy: -64.868
where: short stacking energy: -40.011
Base-Backbone interact. energy: -1.220
local terms energy: -63.937408
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -8.981
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: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -129.958908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.958908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.958908 (E_RNA)
where:
Base-Base interactions energy: -71.517
where: short stacking energy: -42.760
Base-Backbone interact. energy: -0.109
local terms energy: -58.333699
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -104.478336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.478336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.478336 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.061
local terms energy: -63.829616
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -6.819
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -92.601602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.601602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.601602 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -21.455
Base-Backbone interact. energy: -0.301
local terms energy: -52.497867
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -88.863733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.863733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.863733 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -27.998
Base-Backbone interact. energy: -0.099
local terms energy: -58.407173
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -91.018563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.018563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.018563 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.042
local terms energy: -54.851957
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -7.524
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: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -84.359981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359981 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -23.435
Base-Backbone interact. energy: 0.735
local terms energy: -48.625150
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -77.397632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397632 (E_RNA)
where:
Base-Base interactions energy: -22.502
where: short stacking energy: -20.891
Base-Backbone interact. energy: 0.728
local terms energy: -55.623526
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.889
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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -200.258271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.258271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.258271 (E_RNA)
where:
Base-Base interactions energy: -120.906
where: short stacking energy: -73.188
Base-Backbone interact. energy: -0.014
local terms energy: -79.338389
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -174.406978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.406978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406978 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.424
local terms energy: -59.715618
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -142.451255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.451255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.451255 (E_RNA)
where:
Base-Base interactions energy: -78.731
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.100
local terms energy: -63.620682
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -119.617758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.617758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.617758 (E_RNA)
where:
Base-Base interactions energy: -48.880
where: short stacking energy: -48.323
Base-Backbone interact. energy: -0.105
local terms energy: -70.632318
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -10.848
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: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -109.544207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.544207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.544207 (E_RNA)
where:
Base-Base interactions energy: -44.252
where: short stacking energy: -43.446
Base-Backbone interact. energy: -0.053
local terms energy: -65.239636
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -12.085
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: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -100.481794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.481794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.481794 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.169
local terms energy: -58.235215
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -96.942126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.942126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.942126 (E_RNA)
where:
Base-Base interactions energy: -41.960
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.043
local terms energy: -54.939294
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -5.923
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: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -79.216844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216844 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -25.574
Base-Backbone interact. energy: -0.051
local terms energy: -53.522921
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -87.864616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864616 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.122
local terms energy: -50.279381
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -88.193063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.193063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.193063 (E_RNA)
where:
Base-Base interactions energy: -37.777
where: short stacking energy: -21.047
Base-Backbone interact. energy: 1.589
local terms energy: -52.004382
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -204.959067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.959067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.959067 (E_RNA)
where:
Base-Base interactions energy: -122.404
where: short stacking energy: -74.020
Base-Backbone interact. energy: -0.000
local terms energy: -82.554847
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.929
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: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -179.122108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.122108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.122108 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -44.823
Base-Backbone interact. energy: -0.345
local terms energy: -65.116828
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -144.927280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.927280 (E_RNA)
where:
Base-Base interactions energy: -73.456
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.000
local terms energy: -71.470811
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -118.894739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.894739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.894739 (E_RNA)
where:
Base-Base interactions energy: -44.746
where: short stacking energy: -43.999
Base-Backbone interact. energy: -0.047
local terms energy: -74.101204
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -99.257226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.257226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.257226 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.535
local terms energy: -54.094189
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.012
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: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -112.910196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.910196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.910196 (E_RNA)
where:
Base-Base interactions energy: -48.601
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.111
local terms energy: -64.198363
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -93.085942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085942 (E_RNA)
where:
Base-Base interactions energy: -36.264
where: short stacking energy: -27.241
Base-Backbone interact. energy: -0.292
local terms energy: -56.530127
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -94.167960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.167960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.167960 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.298
local terms energy: -59.109658
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -81.484675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484675 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.029
local terms energy: -45.464348
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.044897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.044897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.044897 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.147
local terms energy: -40.951546
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -200.520284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.520284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.520284 (E_RNA)
where:
Base-Base interactions energy: -119.491
where: short stacking energy: -73.444
Base-Backbone interact. energy: -0.000
local terms energy: -81.028882
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -20.439
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: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -183.061208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.061208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.061208 (E_RNA)
where:
Base-Base interactions energy: -111.094
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.657
local terms energy: -71.309866
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -14.482
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: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -126.874655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.874655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.874655 (E_RNA)
where:
Base-Base interactions energy: -66.244
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.596
local terms energy: -60.034438
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -108.586392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.586392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.586392 (E_RNA)
where:
Base-Base interactions energy: -49.762
where: short stacking energy: -43.549
Base-Backbone interact. energy: -0.158
local terms energy: -58.666608
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -99.982560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982560 (E_RNA)
where:
Base-Base interactions energy: -53.761
where: short stacking energy: -26.065
Base-Backbone interact. energy: -0.193
local terms energy: -46.028546
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: 0.145
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: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -95.759170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.759170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.759170 (E_RNA)
where:
Base-Base interactions energy: -34.258
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.204
local terms energy: -61.297032
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -79.872849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.872849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.872849 (E_RNA)
where:
Base-Base interactions energy: -26.389
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.130
local terms energy: -53.353619
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -7.942
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -82.806910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.806910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.806910 (E_RNA)
where:
Base-Base interactions energy: -32.070
where: short stacking energy: -31.278
Base-Backbone interact. energy: 1.067
local terms energy: -51.803700
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -3.291
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: 454
Temperature: 1.300000
Total energy: -78.902893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.902893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.902893 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -24.489
Base-Backbone interact. energy: 0.708
local terms energy: -51.381243
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -80.805878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.805878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.805878 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -26.514
Base-Backbone interact. energy: -0.013
local terms energy: -50.397286
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -197.163346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.163346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.163346 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -70.568
Base-Backbone interact. energy: 0.081
local terms energy: -78.364995
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -183.270728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.270728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.270728 (E_RNA)
where:
Base-Base interactions energy: -109.890
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.122
local terms energy: -73.258991
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -17.730
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -129.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.761649 (E_RNA)
where:
Base-Base interactions energy: -57.801
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.490
local terms energy: -71.470548
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -112.378282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.378282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.378282 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.397
local terms energy: -58.434021
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -101.172629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.172629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.172629 (E_RNA)
where:
Base-Base interactions energy: -54.475
where: short stacking energy: -20.864
Base-Backbone interact. energy: -0.282
local terms energy: -46.415310
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -91.198966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198966 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.147
local terms energy: -52.741634
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -97.884467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884467 (E_RNA)
where:
Base-Base interactions energy: -44.857
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.656
local terms energy: -52.371486
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -85.974100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974100 (E_RNA)
where:
Base-Base interactions energy: -29.682
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.133
local terms energy: -56.159529
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -93.000607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.000607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.000607 (E_RNA)
where:
Base-Base interactions energy: -49.224
where: short stacking energy: -31.278
Base-Backbone interact. energy: 1.411
local terms energy: -45.187594
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -80.727222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.727222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.727222 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.100
local terms energy: -44.204252
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -182.306082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.306082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.306082 (E_RNA)
where:
Base-Base interactions energy: -115.676
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.190
local terms energy: -66.440060
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -199.185994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.185994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.185994 (E_RNA)
where:
Base-Base interactions energy: -122.483
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.005
local terms energy: -76.698161
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -119.149753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.149753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.149753 (E_RNA)
where:
Base-Base interactions energy: -59.121
where: short stacking energy: -43.131
Base-Backbone interact. energy: -0.251
local terms energy: -59.778579
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -126.756218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.756218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.756218 (E_RNA)
where:
Base-Base interactions energy: -63.249
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.003
local terms energy: -63.504595
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -116.617489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.617489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.617489 (E_RNA)
where:
Base-Base interactions energy: -52.515
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.119
local terms energy: -63.983184
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -105.520616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.520616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.520616 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -25.170
Base-Backbone interact. energy: -0.080
local terms energy: -53.719712
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -95.370511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.370511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.370511 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.034
local terms energy: -59.520277
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -97.053397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.053397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.053397 (E_RNA)
where:
Base-Base interactions energy: -46.343
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.086
local terms energy: -50.624488
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -9.665
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: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -83.571679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571679 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -30.422
Base-Backbone interact. energy: 0.144
local terms energy: -49.889789
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -74.183530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.183530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.183530 (E_RNA)
where:
Base-Base interactions energy: -32.560
where: short stacking energy: -24.109
Base-Backbone interact. energy: -0.382
local terms energy: -41.241225
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: 3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -191.118869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.118869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.118869 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.131
local terms energy: -73.816318
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -195.723061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723061 (E_RNA)
where:
Base-Base interactions energy: -122.940
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.426
local terms energy: -72.356285
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -139.620435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.620435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.620435 (E_RNA)
where:
Base-Base interactions energy: -66.705
where: short stacking energy: -57.600
Base-Backbone interact. energy: 0.237
local terms energy: -73.153054
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -124.255033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.255033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.255033 (E_RNA)
where:
Base-Base interactions energy: -58.451
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.016
local terms energy: -65.787660
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -103.755923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.755923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.755923 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.107
local terms energy: -60.737478
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -101.507557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.507557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.507557 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.261
local terms energy: -61.467935
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -6.772
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -92.087690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087690 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.048
local terms energy: -62.422752
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.351
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: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -83.714818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714818 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -29.778
Base-Backbone interact. energy: 1.504
local terms energy: -37.164896
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -81.977966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.977966 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.111
local terms energy: -46.855323
where:
bonds (distance) C4'-P energy: -6.527
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -76.113662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.113662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.113662 (E_RNA)
where:
Base-Base interactions energy: -31.108
where: short stacking energy: -26.132
Base-Backbone interact. energy: 0.435
local terms energy: -45.440423
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -192.494334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.494334 (E_RNA)
where:
Base-Base interactions energy: -123.946
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.017
local terms energy: -68.531343
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -187.607100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.607100 (E_RNA)
where:
Base-Base interactions energy: -111.040
where: short stacking energy: -67.318
Base-Backbone interact. energy: -0.011
local terms energy: -76.556508
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -122.169275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.169275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.169275 (E_RNA)
where:
Base-Base interactions energy: -67.052
where: short stacking energy: -44.452
Base-Backbone interact. energy: -0.940
local terms energy: -54.177493
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -117.960801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.960801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.960801 (E_RNA)
where:
Base-Base interactions energy: -61.932
where: short stacking energy: -33.104
Base-Backbone interact. energy: -0.295
local terms energy: -55.733930
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -109.092418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.092418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.092418 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -44.129
Base-Backbone interact. energy: -0.027
local terms energy: -64.936726
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -89.427846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.427846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.427846 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.651
local terms energy: -51.583106
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -95.936132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.936132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.936132 (E_RNA)
where:
Base-Base interactions energy: -54.156
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.205
local terms energy: -41.575084
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: 1.579
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -84.259096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.259096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.259096 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -34.492
Base-Backbone interact. energy: 2.803
local terms energy: -50.695884
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -87.956648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.956648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.956648 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -34.293
Base-Backbone interact. energy: -0.362
local terms energy: -50.230474
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -84.342041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342041 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -25.554
Base-Backbone interact. energy: 0.027
local terms energy: -45.849765
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -198.793107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.793107 (E_RNA)
where:
Base-Base interactions energy: -120.226
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.020
local terms energy: -78.546264
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -181.734580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.734580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.734580 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.097
local terms energy: -69.393446
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -152.258994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.258994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.258994 (E_RNA)
where:
Base-Base interactions energy: -88.294
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.437
local terms energy: -63.527488
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -11.846
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -116.371449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.371449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.371449 (E_RNA)
where:
Base-Base interactions energy: -58.040
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.140
local terms energy: -58.191352
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -100.025130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.025130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.025130 (E_RNA)
where:
Base-Base interactions energy: -41.168
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.152
local terms energy: -58.705153
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -94.077432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.077432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.077432 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.072
local terms energy: -64.978180
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -93.428618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.428618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.428618 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -28.519
Base-Backbone interact. energy: -0.209
local terms energy: -61.424900
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -94.952078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952078 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.297
local terms energy: -48.324671
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.725
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -86.125232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125232 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -26.840
Base-Backbone interact. energy: -1.607
local terms energy: -43.671999
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -5.659
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: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -81.684024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.684024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.684024 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.263
local terms energy: -51.889586
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -198.131137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.131137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.131137 (E_RNA)
where:
Base-Base interactions energy: -118.376
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.096
local terms energy: -79.659726
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -18.893
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -176.162455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.162455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.162455 (E_RNA)
where:
Base-Base interactions energy: -111.764
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.268
local terms energy: -64.130497
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -141.661469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.661469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.661469 (E_RNA)
where:
Base-Base interactions energy: -73.309
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.006
local terms energy: -68.346653
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -12.448
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: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -107.941207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.941207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.941207 (E_RNA)
where:
Base-Base interactions energy: -52.002
where: short stacking energy: -40.500
Base-Backbone interact. energy: -0.211
local terms energy: -55.727578
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -6.291
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: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -113.502177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.502177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.502177 (E_RNA)
where:
Base-Base interactions energy: -49.817
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.211
local terms energy: -63.473939
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -91.593898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593898 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -29.024
Base-Backbone interact. energy: -1.457
local terms energy: -48.930873
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -6.505
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: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -96.525249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.525249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.525249 (E_RNA)
where:
Base-Base interactions energy: -44.739
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.751
local terms energy: -51.034581
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -79.436211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.436211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.436211 (E_RNA)
where:
Base-Base interactions energy: -22.946
where: short stacking energy: -20.750
Base-Backbone interact. energy: -0.110
local terms energy: -56.380324
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -1.913
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -79.909404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.909404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.909404 (E_RNA)
where:
Base-Base interactions energy: -27.513
where: short stacking energy: -25.021
Base-Backbone interact. energy: 0.390
local terms energy: -52.786413
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -76.343995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.343995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.343995 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.350
local terms energy: -39.730053
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -11.741
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -200.659858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.659858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.659858 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -72.983
Base-Backbone interact. energy: -0.056
local terms energy: -79.997819
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -150.659563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.659563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.659563 (E_RNA)
where:
Base-Base interactions energy: -84.231
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.006
local terms energy: -66.422211
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -9.260
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: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -139.228256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.228256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.228256 (E_RNA)
where:
Base-Base interactions energy: -66.700
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.415
local terms energy: -72.113723
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -125.555705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.555705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.555705 (E_RNA)
where:
Base-Base interactions energy: -55.184
where: short stacking energy: -47.909
Base-Backbone interact. energy: -0.135
local terms energy: -70.236069
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -99.603683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.603683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.603683 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.127
local terms energy: -64.688012
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -11.247
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: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -106.783359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.783359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.783359 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -35.238
Base-Backbone interact. energy: 1.149
local terms energy: -55.646258
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -3.814
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: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -87.062129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062129 (E_RNA)
where:
Base-Base interactions energy: -28.739
where: short stacking energy: -28.739
Base-Backbone interact. energy: 0.343
local terms energy: -58.665943
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -87.613375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613375 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.074
local terms energy: -53.578399
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -9.971
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: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -89.022823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022823 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.185
local terms energy: -48.261379
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -3.291
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: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -75.142106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.142106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.142106 (E_RNA)
where:
Base-Base interactions energy: -25.059
where: short stacking energy: -19.914
Base-Backbone interact. energy: -0.539
local terms energy: -49.544474
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -201.468675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.468675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.468675 (E_RNA)
where:
Base-Base interactions energy: -123.473
where: short stacking energy: -75.492
Base-Backbone interact. energy: -0.002
local terms energy: -77.993504
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -19.737
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: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -148.271462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.271462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.271462 (E_RNA)
where:
Base-Base interactions energy: -80.988
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.081
local terms energy: -67.202197
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -158.582867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582867 (E_RNA)
where:
Base-Base interactions energy: -87.564
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.615
local terms energy: -70.404339
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -125.721906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.721906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.721906 (E_RNA)
where:
Base-Base interactions energy: -54.365
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.094
local terms energy: -71.262846
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -116.432276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.432276 (E_RNA)
where:
Base-Base interactions energy: -51.588
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.218
local terms energy: -64.626539
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -11.895
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: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -102.931155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.931155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.931155 (E_RNA)
where:
Base-Base interactions energy: -44.810
where: short stacking energy: -31.343
Base-Backbone interact. energy: 0.043
local terms energy: -58.164095
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -87.932616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932616 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.401
local terms energy: -54.586918
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -80.319952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319952 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -32.208
Base-Backbone interact. energy: 0.237
local terms energy: -47.035414
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -76.625108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.625108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.625108 (E_RNA)
where:
Base-Base interactions energy: -27.356
where: short stacking energy: -12.514
Base-Backbone interact. energy: -0.423
local terms energy: -48.845542
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -0.413
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -80.990542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990542 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -31.730
Base-Backbone interact. energy: -0.024
local terms energy: -49.236457
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -208.373765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373765 (E_RNA)
where:
Base-Base interactions energy: -126.869
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.024
local terms energy: -81.480175
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -21.490
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -164.544532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.544532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.544532 (E_RNA)
where:
Base-Base interactions energy: -90.823
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.034
local terms energy: -73.686858
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -147.843531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.843531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.843531 (E_RNA)
where:
Base-Base interactions energy: -87.723
where: short stacking energy: -45.916
Base-Backbone interact. energy: 0.894
local terms energy: -61.014802
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -120.585657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.585657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.585657 (E_RNA)
where:
Base-Base interactions energy: -57.141
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.165
local terms energy: -63.280068
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -99.014985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.014985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.014985 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.476
local terms energy: -65.684955
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -90.030495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.030495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.030495 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -39.900
Base-Backbone interact. energy: -0.141
local terms energy: -49.989613
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -75.257363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.257363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.257363 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -20.573
Base-Backbone interact. energy: -0.196
local terms energy: -42.083059
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.779
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: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -82.795160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.795160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.795160 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.418
local terms energy: -51.124694
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -81.215578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.215578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.215578 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.167
local terms energy: -55.633154
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -83.459914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459914 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -29.476
Base-Backbone interact. energy: 2.231
local terms energy: -52.288250
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -5.250
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -201.678351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678351 (E_RNA)
where:
Base-Base interactions energy: -122.528
where: short stacking energy: -72.470
Base-Backbone interact. energy: 0.535
local terms energy: -79.685771
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -161.108873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.108873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.108873 (E_RNA)
where:
Base-Base interactions energy: -98.977
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.179
local terms energy: -61.953233
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -169.149880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.149880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.149880 (E_RNA)
where:
Base-Base interactions energy: -105.714
where: short stacking energy: -63.606
Base-Backbone interact. energy: 0.571
local terms energy: -64.006464
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -115.988840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.988840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.988840 (E_RNA)
where:
Base-Base interactions energy: -63.142
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.272
local terms energy: -52.575303
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -108.892910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.892910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.892910 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.775
local terms energy: -57.715110
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -91.245832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.245832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.245832 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.068
local terms energy: -51.918661
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -90.404399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404399 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.131
local terms energy: -56.384111
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -90.922103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.922103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.922103 (E_RNA)
where:
Base-Base interactions energy: -40.865
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.200
local terms energy: -49.857165
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -79.458252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458252 (E_RNA)
where:
Base-Base interactions energy: -25.610
where: short stacking energy: -25.610
Base-Backbone interact. energy: -0.253
local terms energy: -53.595246
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -11.151
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: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -81.008690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.008690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.008690 (E_RNA)
where:
Base-Base interactions energy: -32.145
where: short stacking energy: -14.366
Base-Backbone interact. energy: -0.458
local terms energy: -48.405476
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: 1.601
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: 465
Temperature: 0.900000
Total energy: -194.089744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.089744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.089744 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.003
local terms energy: -77.543452
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -158.065668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.065668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.065668 (E_RNA)
where:
Base-Base interactions energy: -92.041
where: short stacking energy: -47.426
Base-Backbone interact. energy: -0.181
local terms energy: -65.843275
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -161.005392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.005392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.005392 (E_RNA)
where:
Base-Base interactions energy: -89.764
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.000
local terms energy: -71.241343
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.799
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: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -108.242474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.242474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.242474 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -41.503
Base-Backbone interact. energy: -1.480
local terms energy: -60.673660
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -108.175046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.175046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.175046 (E_RNA)
where:
Base-Base interactions energy: -55.974
where: short stacking energy: -35.454
Base-Backbone interact. energy: -0.180
local terms energy: -52.020953
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -84.606054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.606054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.606054 (E_RNA)
where:
Base-Base interactions energy: -32.403
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.082
local terms energy: -52.120548
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -8.047
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: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -99.587596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587596 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.486
local terms energy: -56.758706
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -78.627942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.627942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.627942 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -32.774
Base-Backbone interact. energy: -0.066
local terms energy: -41.541505
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -5.823
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: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -79.191196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.191196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.191196 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.249
local terms energy: -50.602950
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -81.812743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.812743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.812743 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.082
local terms energy: -52.986802
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -200.892633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.892633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.892633 (E_RNA)
where:
Base-Base interactions energy: -119.016
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.747
local terms energy: -81.129632
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -161.017704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.017704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.017704 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -57.593
Base-Backbone interact. energy: 0.714
local terms energy: -74.516559
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -168.681399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.681399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.681399 (E_RNA)
where:
Base-Base interactions energy: -102.941
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.061
local terms energy: -65.679549
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -4.338
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: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -134.808642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.808642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.808642 (E_RNA)
where:
Base-Base interactions energy: -74.749
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.038
local terms energy: -60.021498
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -4.966
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: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -111.959642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.959642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.959642 (E_RNA)
where:
Base-Base interactions energy: -54.089
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.019
local terms energy: -57.851714
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -110.001278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.001278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.001278 (E_RNA)
where:
Base-Base interactions energy: -57.089
where: short stacking energy: -32.046
Base-Backbone interact. energy: -0.213
local terms energy: -52.698433
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -102.713016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.713016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.713016 (E_RNA)
where:
Base-Base interactions energy: -52.475
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.223
local terms energy: -50.014673
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -95.636074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.636074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.636074 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -32.029
Base-Backbone interact. energy: 2.282
local terms energy: -60.789283
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -88.497389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.497389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.497389 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.181
local terms energy: -49.636701
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.059
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: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -71.202787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.202787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.202787 (E_RNA)
where:
Base-Base interactions energy: -24.211
where: short stacking energy: -20.556
Base-Backbone interact. energy: 1.168
local terms energy: -48.159126
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -8.651
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: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -192.394297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.394297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.394297 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.101
local terms energy: -68.420174
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -175.078661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.078661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.078661 (E_RNA)
where:
Base-Base interactions energy: -107.330
where: short stacking energy: -64.774
Base-Backbone interact. energy: 2.338
local terms energy: -70.087084
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -13.329
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: 467
Temperature: 1.000000
Total energy: -153.250024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.250024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.250024 (E_RNA)
where:
Base-Base interactions energy: -85.080
where: short stacking energy: -60.146
Base-Backbone interact. energy: 0.157
local terms energy: -68.327369
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -9.971
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: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -121.337663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.337663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.337663 (E_RNA)
where:
Base-Base interactions energy: -53.520
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.833
local terms energy: -66.984855
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -108.772548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.772548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.772548 (E_RNA)
where:
Base-Base interactions energy: -55.002
where: short stacking energy: -42.834
Base-Backbone interact. energy: 0.912
local terms energy: -54.683090
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.759
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: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -96.646771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.646771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.646771 (E_RNA)
where:
Base-Base interactions energy: -41.087
where: short stacking energy: -27.281
Base-Backbone interact. energy: 0.241
local terms energy: -55.800532
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -8.956
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -91.402527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402527 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.023
local terms energy: -47.392907
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -7.369
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -5.085
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: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -91.420986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.420986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.420986 (E_RNA)
where:
Base-Base interactions energy: -28.705
where: short stacking energy: -26.925
Base-Backbone interact. energy: -1.011
local terms energy: -61.704581
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -75.863188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863188 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.315
local terms energy: -45.946300
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -70.658176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.658176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.658176 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -25.162
Base-Backbone interact. energy: 0.424
local terms energy: -45.919786
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -199.301334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.301334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.301334 (E_RNA)
where:
Base-Base interactions energy: -124.017
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.098
local terms energy: -75.186689
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -20.376
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: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -185.456878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.456878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.456878 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.010
local terms energy: -72.009400
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -143.497685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.497685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.497685 (E_RNA)
where:
Base-Base interactions energy: -78.675
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.287
local terms energy: -64.535654
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -132.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.018173 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -50.739
Base-Backbone interact. energy: -0.062
local terms energy: -63.674723
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -102.517746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.517746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.517746 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -36.902
Base-Backbone interact. energy: 0.840
local terms energy: -64.439771
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.801
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: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -107.643396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.643396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.643396 (E_RNA)
where:
Base-Base interactions energy: -42.922
where: short stacking energy: -42.438
Base-Backbone interact. energy: 1.417
local terms energy: -66.137818
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -79.775749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775749 (E_RNA)
where:
Base-Base interactions energy: -28.400
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.086
local terms energy: -51.289223
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -91.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.732072 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.073
local terms energy: -52.535974
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -83.821370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.821370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.821370 (E_RNA)
where:
Base-Base interactions energy: -36.850
where: short stacking energy: -26.078
Base-Backbone interact. energy: 1.544
local terms energy: -48.515063
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -85.390214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.390214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.390214 (E_RNA)
where:
Base-Base interactions energy: -38.946
where: short stacking energy: -38.946
Base-Backbone interact. energy: -0.050
local terms energy: -46.393423
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -8.599
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -193.029386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.029386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.029386 (E_RNA)
where:
Base-Base interactions energy: -118.614
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.041
local terms energy: -74.374043
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -13.586
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: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -178.480238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.480238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.480238 (E_RNA)
where:
Base-Base interactions energy: -104.983
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.042
local terms energy: -73.455284
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -145.288651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.288651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.288651 (E_RNA)
where:
Base-Base interactions energy: -84.096
where: short stacking energy: -46.952
Base-Backbone interact. energy: -0.026
local terms energy: -61.166126
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -8.997
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: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -122.482191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.482191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.482191 (E_RNA)
where:
Base-Base interactions energy: -55.400
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.097
local terms energy: -66.985296
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -87.993131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.993131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.993131 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.030
local terms energy: -53.412930
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -3.933
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: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -99.291615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.291615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.291615 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -31.420
Base-Backbone interact. energy: 0.316
local terms energy: -49.125250
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -82.939596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.939596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.939596 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.140
local terms energy: -51.767254
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -75.768037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768037 (E_RNA)
where:
Base-Base interactions energy: -22.425
where: short stacking energy: -21.053
Base-Backbone interact. energy: -1.185
local terms energy: -52.158429
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -81.811739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.811739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.811739 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -30.432
Base-Backbone interact. energy: 0.187
local terms energy: -43.491282
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -73.389464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.389464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.389464 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -17.969
Base-Backbone interact. energy: -0.757
local terms energy: -41.097062
where:
bonds (distance) C4'-P energy: -6.300
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -199.213744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.213744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.213744 (E_RNA)
where:
Base-Base interactions energy: -121.348
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.610
local terms energy: -77.255447
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -168.126528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.126528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.126528 (E_RNA)
where:
Base-Base interactions energy: -105.937
where: short stacking energy: -50.635
Base-Backbone interact. energy: -0.505
local terms energy: -61.685086
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -10.985
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: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -122.950980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.950980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.950980 (E_RNA)
where:
Base-Base interactions energy: -56.571
where: short stacking energy: -51.300
Base-Backbone interact. energy: -0.038
local terms energy: -66.342174
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -145.935582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.935582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.935582 (E_RNA)
where:
Base-Base interactions energy: -81.439
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.466
local terms energy: -64.030994
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -101.333146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.333146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.333146 (E_RNA)
where:
Base-Base interactions energy: -48.243
where: short stacking energy: -37.279
Base-Backbone interact. energy: -0.021
local terms energy: -53.069042
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -9.920
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: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -108.480558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.480558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.480558 (E_RNA)
where:
Base-Base interactions energy: -53.797
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.102
local terms energy: -54.581769
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -108.963292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.963292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.963292 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.538
local terms energy: -53.288174
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -5.810
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: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -86.118628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.118628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.118628 (E_RNA)
where:
Base-Base interactions energy: -41.158
where: short stacking energy: -35.380
Base-Backbone interact. energy: -0.143
local terms energy: -44.817242
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -75.989896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.989896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.989896 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -16.712
Base-Backbone interact. energy: -0.217
local terms energy: -41.395537
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -2.792
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -73.549716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.549716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.549716 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.132
local terms energy: -38.098564
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -1.778
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -192.052677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.052677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.052677 (E_RNA)
where:
Base-Base interactions energy: -112.499
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.123
local terms energy: -79.431153
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -180.903334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.903334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.903334 (E_RNA)
where:
Base-Base interactions energy: -106.519
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.094
local terms energy: -74.290546
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -108.748168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.748168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.748168 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -33.623
Base-Backbone interact. energy: -0.069
local terms energy: -58.684008
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -141.596850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.596850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.596850 (E_RNA)
where:
Base-Base interactions energy: -77.474
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.332
local terms energy: -63.791443
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -112.555662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.555662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.555662 (E_RNA)
where:
Base-Base interactions energy: -50.254
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.114
local terms energy: -62.187074
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -97.915559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.915559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.915559 (E_RNA)
where:
Base-Base interactions energy: -41.916
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.453
local terms energy: -55.546534
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -89.734186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.734186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.734186 (E_RNA)
where:
Base-Base interactions energy: -42.355
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.098
local terms energy: -47.281131
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -6.903
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: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -87.571261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.571261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.571261 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.089
local terms energy: -51.782042
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -7.733
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: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -83.154362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.154362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.154362 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -33.594
Base-Backbone interact. energy: 1.611
local terms energy: -48.601176
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -83.798359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.798359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.798359 (E_RNA)
where:
Base-Base interactions energy: -24.824
where: short stacking energy: -24.824
Base-Backbone interact. energy: 1.157
local terms energy: -60.131964
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -194.261834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.261834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.261834 (E_RNA)
where:
Base-Base interactions energy: -113.318
where: short stacking energy: -74.094
Base-Backbone interact. energy: -0.048
local terms energy: -80.895621
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -182.471429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.471429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471429 (E_RNA)
where:
Base-Base interactions energy: -108.023
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.141
local terms energy: -74.307788
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.770
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: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -135.439499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.439499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.439499 (E_RNA)
where:
Base-Base interactions energy: -73.799
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.126
local terms energy: -61.514580
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -12.258
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: 472
Temperature: 1.050000
Total energy: -122.920731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.920731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.920731 (E_RNA)
where:
Base-Base interactions energy: -64.162
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.550
local terms energy: -58.208675
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -92.163617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163617 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.264
local terms energy: -52.644440
where:
bonds (distance) C4'-P energy: -6.810
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -95.705342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705342 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -34.527
Base-Backbone interact. energy: 0.411
local terms energy: -59.360459
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -105.923919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.923919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.923919 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.412
local terms energy: -54.577379
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -7.066
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: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -93.353885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353885 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -39.519
Base-Backbone interact. energy: -0.039
local terms energy: -53.533942
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -79.199698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.199698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.199698 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.223
local terms energy: -47.622896
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -1.775
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: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -78.707772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.707772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.707772 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.231
local terms energy: -47.958384
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -194.119323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.119323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.119323 (E_RNA)
where:
Base-Base interactions energy: -114.209
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.089
local terms energy: -79.821370
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -191.505085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505085 (E_RNA)
where:
Base-Base interactions energy: -116.619
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.059
local terms energy: -74.826604
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -10.284
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: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -131.254979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.254979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.254979 (E_RNA)
where:
Base-Base interactions energy: -69.660
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.165
local terms energy: -61.429904
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -7.891
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: 473
Temperature: 1.050000
Total energy: -121.929940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.929940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.929940 (E_RNA)
where:
Base-Base interactions energy: -69.556
where: short stacking energy: -28.143
Base-Backbone interact. energy: -0.416
local terms energy: -51.957790
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -11.162
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -104.485842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.485842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.485842 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -38.883
Base-Backbone interact. energy: -0.267
local terms energy: -61.359959
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -103.757848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.757848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.757848 (E_RNA)
where:
Base-Base interactions energy: -43.673
where: short stacking energy: -39.304
Base-Backbone interact. energy: -1.645
local terms energy: -58.440325
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.117
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: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -92.359274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.359274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.359274 (E_RNA)
where:
Base-Base interactions energy: -44.315
where: short stacking energy: -23.683
Base-Backbone interact. energy: -0.203
local terms energy: -47.841281
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -5.808
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: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -88.466136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466136 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.153
local terms energy: -49.744702
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -86.755289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755289 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.219
local terms energy: -54.678410
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -68.867123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.867123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.867123 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -22.178
Base-Backbone interact. energy: -0.082
local terms energy: -37.316592
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -203.215683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.215683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.215683 (E_RNA)
where:
Base-Base interactions energy: -124.472
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.173
local terms energy: -78.571470
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -16.572
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -190.974326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.974326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.974326 (E_RNA)
where:
Base-Base interactions energy: -122.647
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.216
local terms energy: -68.111729
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -118.677977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.677977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.677977 (E_RNA)
where:
Base-Base interactions energy: -53.836
where: short stacking energy: -33.992
Base-Backbone interact. energy: 0.198
local terms energy: -65.039478
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -11.915
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: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -110.911053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.911053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.911053 (E_RNA)
where:
Base-Base interactions energy: -47.280
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.013
local terms energy: -63.618739
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -10.118
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -105.211875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211875 (E_RNA)
where:
Base-Base interactions energy: -52.824
where: short stacking energy: -35.925
Base-Backbone interact. energy: -0.009
local terms energy: -52.378829
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -98.181513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.181513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.181513 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.804
local terms energy: -53.617690
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -95.972414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.972414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.972414 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.165
local terms energy: -61.656751
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -79.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.971053 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -29.125
Base-Backbone interact. energy: 0.718
local terms energy: -51.564187
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -75.554086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.554086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.554086 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -25.431
Base-Backbone interact. energy: -0.106
local terms energy: -45.732580
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -81.699305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.699305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.699305 (E_RNA)
where:
Base-Base interactions energy: -34.390
where: short stacking energy: -29.517
Base-Backbone interact. energy: -0.024
local terms energy: -47.285525
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -204.246801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.246801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.246801 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -60.270
Base-Backbone interact. energy: 0.200
local terms energy: -71.848763
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -193.354454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.354454 (E_RNA)
where:
Base-Base interactions energy: -117.489
where: short stacking energy: -65.565
Base-Backbone interact. energy: 0.550
local terms energy: -76.415407
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -127.321149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.321149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.321149 (E_RNA)
where:
Base-Base interactions energy: -63.404
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.473
local terms energy: -63.444381
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -12.764
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: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -97.379689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.379689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.379689 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.139
local terms energy: -55.450782
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.218
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: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -130.710955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.710955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.710955 (E_RNA)
where:
Base-Base interactions energy: -67.156
where: short stacking energy: -49.230
Base-Backbone interact. energy: -0.187
local terms energy: -63.368494
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -101.561222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.561222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.561222 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.258
local terms energy: -62.439653
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -8.632
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: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -98.175868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.175868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.175868 (E_RNA)
where:
Base-Base interactions energy: -51.138
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.093
local terms energy: -46.944278
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -88.221944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221944 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -33.618
Base-Backbone interact. energy: -0.661
local terms energy: -42.026758
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -76.204939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.204939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.204939 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.160
local terms energy: -41.226912
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -6.650
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: 1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -94.203363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.203363 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -20.365
Base-Backbone interact. energy: -0.800
local terms energy: -48.932624
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -203.236966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.236966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.236966 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -63.943
Base-Backbone interact. energy: 0.660
local terms energy: -76.964331
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -183.998372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.998372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.998372 (E_RNA)
where:
Base-Base interactions energy: -107.926
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.406
local terms energy: -75.666044
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -112.844093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.844093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.844093 (E_RNA)
where:
Base-Base interactions energy: -49.765
where: short stacking energy: -42.117
Base-Backbone interact. energy: -0.070
local terms energy: -63.009479
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -126.977168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.977168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.977168 (E_RNA)
where:
Base-Base interactions energy: -61.311
where: short stacking energy: -34.405
Base-Backbone interact. energy: 1.438
local terms energy: -67.104115
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.223
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: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -96.590628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590628 (E_RNA)
where:
Base-Base interactions energy: -44.387
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.103
local terms energy: -52.101222
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -94.145556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145556 (E_RNA)
where:
Base-Base interactions energy: -48.439
where: short stacking energy: -30.763
Base-Backbone interact. energy: -0.963
local terms energy: -44.743601
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -95.483528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.483528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.483528 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.033
local terms energy: -54.831497
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -86.890369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890369 (E_RNA)
where:
Base-Base interactions energy: -40.532
where: short stacking energy: -40.532
Base-Backbone interact. energy: -0.167
local terms energy: -46.192254
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.945091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.945091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.945091 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.301
local terms energy: -48.566404
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -71.480634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.480634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.480634 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.124
local terms energy: -44.078953
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: 1.946
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: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -208.796129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.796129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.796129 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.361
local terms energy: -79.453101
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -16.188
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: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -179.325379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.325379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.325379 (E_RNA)
where:
Base-Base interactions energy: -107.621
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.384
local terms energy: -71.320272
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.771
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: 477
Temperature: 1.000000
Total energy: -117.587102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.587102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.587102 (E_RNA)
where:
Base-Base interactions energy: -50.572
where: short stacking energy: -46.040
Base-Backbone interact. energy: -0.002
local terms energy: -67.013514
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -119.148848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.148848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.148848 (E_RNA)
where:
Base-Base interactions energy: -60.583
where: short stacking energy: -47.214
Base-Backbone interact. energy: -0.923
local terms energy: -57.643500
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -98.810128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.810128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.810128 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -38.266
Base-Backbone interact. energy: -0.109
local terms energy: -56.949936
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -10.703
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -98.145657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.145657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.145657 (E_RNA)
where:
Base-Base interactions energy: -52.190
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.008
local terms energy: -45.947525
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -94.333688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333688 (E_RNA)
where:
Base-Base interactions energy: -41.873
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.101
local terms energy: -52.359321
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -4.423
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: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -84.755435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755435 (E_RNA)
where:
Base-Base interactions energy: -31.315
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.418
local terms energy: -53.022234
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -4.223
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: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -83.666318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666318 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.059
local terms energy: -55.985276
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -1.020
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -76.075749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.075749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.075749 (E_RNA)
where:
Base-Base interactions energy: -28.613
where: short stacking energy: -20.974
Base-Backbone interact. energy: -0.279
local terms energy: -47.183432
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -0.068
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -192.974502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.974502 (E_RNA)
where:
Base-Base interactions energy: -119.965
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.720
local terms energy: -72.289731
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -205.426561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.426561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.426561 (E_RNA)
where:
Base-Base interactions energy: -138.170
where: short stacking energy: -58.369
Base-Backbone interact. energy: -1.025
local terms energy: -66.232057
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.194
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: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -113.084805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.084805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.084805 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.007
local terms energy: -71.158060
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -106.134805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.134805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.134805 (E_RNA)
where:
Base-Base interactions energy: -53.382
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.259
local terms energy: -52.493031
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -10.268
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: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -106.650865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.650865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.650865 (E_RNA)
where:
Base-Base interactions energy: -54.143
where: short stacking energy: -43.608
Base-Backbone interact. energy: -0.013
local terms energy: -52.494761
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -94.873467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.873467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.873467 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -26.336
Base-Backbone interact. energy: -0.538
local terms energy: -60.887496
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -100.225043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.225043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.225043 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.060
local terms energy: -57.964722
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -90.683288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683288 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -33.226
Base-Backbone interact. energy: 2.999
local terms energy: -60.455370
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -12.142
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: 478
Temperature: 1.300000
Total energy: -84.194174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194174 (E_RNA)
where:
Base-Base interactions energy: -34.560
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.136
local terms energy: -49.498661
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -74.251134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.251134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.251134 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -30.014
Base-Backbone interact. energy: -0.033
local terms energy: -44.404459
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -2.952
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: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -183.058301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.058301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.058301 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.604
local terms energy: -71.350227
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -11.917
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -198.157469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.157469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.157469 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.146
local terms energy: -66.094993
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -13.954
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: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -112.747808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.747808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.747808 (E_RNA)
where:
Base-Base interactions energy: -62.255
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.107
local terms energy: -50.386624
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -120.163798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.163798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.163798 (E_RNA)
where:
Base-Base interactions energy: -58.565
where: short stacking energy: -42.261
Base-Backbone interact. energy: -1.432
local terms energy: -60.166793
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -9.189
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: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -107.196937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.196937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.196937 (E_RNA)
where:
Base-Base interactions energy: -42.905
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.064
local terms energy: -64.228191
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -101.526201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.526201 (E_RNA)
where:
Base-Base interactions energy: -47.003
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.363
local terms energy: -54.160229
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.526
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: 479
Temperature: 1.200000
Total energy: -101.214800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.214800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.214800 (E_RNA)
where:
Base-Base interactions energy: -47.374
where: short stacking energy: -39.752
Base-Backbone interact. energy: -0.016
local terms energy: -53.825017
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -82.633660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.633660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.633660 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -26.398
Base-Backbone interact. energy: -0.308
local terms energy: -52.919522
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -79.727780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.727780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.727780 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.247
local terms energy: -52.703043
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -4.091
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: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -81.644087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644087 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.174
local terms energy: -50.081643
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -4.563
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: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -210.838940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.838940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.838940 (E_RNA)
where:
Base-Base interactions energy: -143.348
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.208
local terms energy: -67.282352
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -185.130882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130882 (E_RNA)
where:
Base-Base interactions energy: -121.153
where: short stacking energy: -57.668
Base-Backbone interact. energy: 1.279
local terms energy: -65.256125
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -6.681
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -129.050727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.050727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.050727 (E_RNA)
where:
Base-Base interactions energy: -64.709
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.881
local terms energy: -63.460076
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.964
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: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -109.906332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.906332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.906332 (E_RNA)
where:
Base-Base interactions energy: -50.146
where: short stacking energy: -46.731
Base-Backbone interact. energy: -0.035
local terms energy: -59.725600
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -5.957
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -115.111663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.111663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.111663 (E_RNA)
where:
Base-Base interactions energy: -62.466
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.539
local terms energy: -52.107328
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -98.970466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.970466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.970466 (E_RNA)
where:
Base-Base interactions energy: -50.339
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.165
local terms energy: -48.465818
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -6.161
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: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -92.285473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.285473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.285473 (E_RNA)
where:
Base-Base interactions energy: -35.713
where: short stacking energy: -31.422
Base-Backbone interact. energy: 0.774
local terms energy: -57.346552
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -8.695
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: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -90.735642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.735642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.735642 (E_RNA)
where:
Base-Base interactions energy: -43.433
where: short stacking energy: -40.137
Base-Backbone interact. energy: -0.005
local terms energy: -47.297603
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: 1.462
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.725982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.725982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.725982 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.214
local terms energy: -44.660709
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -66.689914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.689914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.689914 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.121
Base-Backbone interact. energy: 0.206
local terms energy: -43.774648
where:
bonds (distance) C4'-P energy: -6.660
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -10.234
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: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -208.726039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.726039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.726039 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -65.473
Base-Backbone interact. energy: -1.135
local terms energy: -76.499765
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -194.437847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.437847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.437847 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.066
local terms energy: -65.663424
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -125.504374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.504374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.504374 (E_RNA)
where:
Base-Base interactions energy: -61.315
where: short stacking energy: -41.440
Base-Backbone interact. energy: 0.244
local terms energy: -64.433015
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -103.943538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.943538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.943538 (E_RNA)
where:
Base-Base interactions energy: -45.821
where: short stacking energy: -41.233
Base-Backbone interact. energy: -0.166
local terms energy: -57.956442
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -10.528
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: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -116.638187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.638187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.638187 (E_RNA)
where:
Base-Base interactions energy: -54.970
where: short stacking energy: -54.154
Base-Backbone interact. energy: 0.647
local terms energy: -62.314346
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.088
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: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -86.803586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803586 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -33.636
Base-Backbone interact. energy: -0.185
local terms energy: -50.013816
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -88.881272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881272 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -25.514
Base-Backbone interact. energy: -0.210
local terms energy: -50.808656
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -92.880025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.880025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.880025 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -33.341
Base-Backbone interact. energy: -0.278
local terms energy: -55.924694
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -6.110
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: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -93.642712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642712 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.205
local terms energy: -51.971539
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -5.668
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: 481
Temperature: 1.350000
Total energy: -72.021552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.021552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.021552 (E_RNA)
where:
Base-Base interactions energy: -22.242
where: short stacking energy: -22.518
Base-Backbone interact. energy: -0.070
local terms energy: -49.710057
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -2.295
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: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -208.679363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679363 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -64.716
Base-Backbone interact. energy: 0.384
local terms energy: -67.240548
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -185.902925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.902925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.902925 (E_RNA)
where:
Base-Base interactions energy: -114.037
where: short stacking energy: -57.916
Base-Backbone interact. energy: 0.573
local terms energy: -72.439091
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -7.583
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: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -131.627646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.627646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.627646 (E_RNA)
where:
Base-Base interactions energy: -66.904
where: short stacking energy: -55.982
Base-Backbone interact. energy: -0.142
local terms energy: -64.580958
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -111.421461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.421461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.421461 (E_RNA)
where:
Base-Base interactions energy: -48.149
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.200
local terms energy: -63.072886
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -121.729304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.729304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.729304 (E_RNA)
where:
Base-Base interactions energy: -62.670
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.206
local terms energy: -58.853339
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.598
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: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -98.022447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022447 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -17.692
Base-Backbone interact. energy: -0.238
local terms energy: -58.286096
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -11.429
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: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -86.596104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596104 (E_RNA)
where:
Base-Base interactions energy: -40.710
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.161
local terms energy: -45.724659
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -1.864
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: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -96.750097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.750097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.750097 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.604
local terms energy: -62.635930
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -6.953
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: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -80.279984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279984 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -28.581
Base-Backbone interact. energy: -0.763
local terms energy: -50.118586
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: 1.546
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: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -80.114914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.114914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.114914 (E_RNA)
where:
Base-Base interactions energy: -22.851
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.206
local terms energy: -57.057977
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -4.238
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: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -204.174275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.174275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.174275 (E_RNA)
where:
Base-Base interactions energy: -123.918
where: short stacking energy: -72.243
Base-Backbone interact. energy: -0.001
local terms energy: -80.255321
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -186.911497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.911497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.911497 (E_RNA)
where:
Base-Base interactions energy: -106.157
where: short stacking energy: -58.342
Base-Backbone interact. energy: -0.365
local terms energy: -80.389299
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -126.905862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.905862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.905862 (E_RNA)
where:
Base-Base interactions energy: -60.923
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.210
local terms energy: -65.773677
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -12.827
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: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -130.711772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.711772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.711772 (E_RNA)
where:
Base-Base interactions energy: -67.999
where: short stacking energy: -49.882
Base-Backbone interact. energy: -0.160
local terms energy: -62.552841
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -103.135161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.135161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.135161 (E_RNA)
where:
Base-Base interactions energy: -46.551
where: short stacking energy: -35.837
Base-Backbone interact. energy: -0.010
local terms energy: -56.573538
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -97.047245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.047245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.047245 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -30.639
Base-Backbone interact. energy: -0.282
local terms energy: -53.165793
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -88.183023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.183023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.183023 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.665
local terms energy: -46.734699
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -2.492
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: 483
Temperature: 1.250000
Total energy: -80.759126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.759126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.759126 (E_RNA)
where:
Base-Base interactions energy: -33.329
where: short stacking energy: -33.187
Base-Backbone interact. energy: -0.097
local terms energy: -47.333120
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -5.427
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: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -88.057149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057149 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -29.611
Base-Backbone interact. energy: 0.384
local terms energy: -55.711590
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.396424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.396424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.396424 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -20.934
Base-Backbone interact. energy: -0.206
local terms energy: -52.072702
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -193.303479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.303479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.303479 (E_RNA)
where:
Base-Base interactions energy: -118.514
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.397
local terms energy: -74.392800
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -195.854973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.854973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.854973 (E_RNA)
where:
Base-Base interactions energy: -120.935
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.017
local terms energy: -74.903184
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -20.471
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -142.911487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.911487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.911487 (E_RNA)
where:
Base-Base interactions energy: -84.917
where: short stacking energy: -48.686
Base-Backbone interact. energy: -0.007
local terms energy: -57.987485
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -6.945
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: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -129.396238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.396238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.396238 (E_RNA)
where:
Base-Base interactions energy: -72.079
where: short stacking energy: -37.865
Base-Backbone interact. energy: -1.149
local terms energy: -56.168376
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -97.141963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.141963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.141963 (E_RNA)
where:
Base-Base interactions energy: -46.409
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.060
local terms energy: -50.672770
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -95.570823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.570823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.570823 (E_RNA)
where:
Base-Base interactions energy: -48.482
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.108
local terms energy: -46.980946
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -99.874676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.874676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.874676 (E_RNA)
where:
Base-Base interactions energy: -44.586
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.129
local terms energy: -55.159416
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -97.448288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.448288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.448288 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -27.878
Base-Backbone interact. energy: 0.233
local terms energy: -56.296798
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -81.163026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.163026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.163026 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.178
local terms energy: -45.677218
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -7.147
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: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -91.859941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.859941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.859941 (E_RNA)
where:
Base-Base interactions energy: -46.042
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.089
local terms energy: -45.729600
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -200.505227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.505227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.505227 (E_RNA)
where:
Base-Base interactions energy: -121.397
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.304
local terms energy: -78.804118
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -14.496
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: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -192.800049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.800049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.800049 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.088
local terms energy: -77.081949
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.936
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: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -140.338403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.338403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.338403 (E_RNA)
where:
Base-Base interactions energy: -72.592
where: short stacking energy: -47.288
Base-Backbone interact. energy: -0.078
local terms energy: -67.668357
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -114.602096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.602096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.602096 (E_RNA)
where:
Base-Base interactions energy: -56.066
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.607
local terms energy: -57.928564
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.339
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: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -118.675254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.675254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.675254 (E_RNA)
where:
Base-Base interactions energy: -60.164
where: short stacking energy: -43.572
Base-Backbone interact. energy: 0.780
local terms energy: -59.291634
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -3.519
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: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -99.671507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.671507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.671507 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -33.879
Base-Backbone interact. energy: 0.373
local terms energy: -57.796966
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -97.307393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.307393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.307393 (E_RNA)
where:
Base-Base interactions energy: -43.261
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.064
local terms energy: -53.981875
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -79.115399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.115399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.115399 (E_RNA)
where:
Base-Base interactions energy: -27.374
where: short stacking energy: -10.532
Base-Backbone interact. energy: -0.370
local terms energy: -51.371859
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -86.573721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573721 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.047
local terms energy: -52.619453
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.172565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.172565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.172565 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.992
local terms energy: -44.105471
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -3.277
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: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -195.963612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.963612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.963612 (E_RNA)
where:
Base-Base interactions energy: -120.458
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.002
local terms energy: -75.504209
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -189.745668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.745668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.745668 (E_RNA)
where:
Base-Base interactions energy: -117.895
where: short stacking energy: -56.250
Base-Backbone interact. energy: -0.632
local terms energy: -71.219225
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -15.141
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: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -158.749400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.749400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.749400 (E_RNA)
where:
Base-Base interactions energy: -92.527
where: short stacking energy: -48.258
Base-Backbone interact. energy: 0.211
local terms energy: -66.432944
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -105.073767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.073767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.073767 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -46.694
Base-Backbone interact. energy: -0.064
local terms energy: -58.315271
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -116.679210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.679210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.679210 (E_RNA)
where:
Base-Base interactions energy: -58.253
where: short stacking energy: -37.911
Base-Backbone interact. energy: -0.160
local terms energy: -58.265568
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.101
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: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -97.990908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990908 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.229
local terms energy: -62.515057
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -98.501422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.501422 (E_RNA)
where:
Base-Base interactions energy: -40.365
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.018
local terms energy: -58.118405
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -8.218
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: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -95.823372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.823372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.823372 (E_RNA)
where:
Base-Base interactions energy: -45.591
where: short stacking energy: -29.299
Base-Backbone interact. energy: -0.216
local terms energy: -50.015763
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -8.224
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: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -77.181328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.181328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.181328 (E_RNA)
where:
Base-Base interactions energy: -24.145
where: short stacking energy: -24.145
Base-Backbone interact. energy: -0.195
local terms energy: -52.841347
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: 5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -78.250601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.250601 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -32.151
Base-Backbone interact. energy: -0.078
local terms energy: -47.021093
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -207.451904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.451904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.451904 (E_RNA)
where:
Base-Base interactions energy: -123.735
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.087
local terms energy: -83.630496
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -185.750824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750824 (E_RNA)
where:
Base-Base interactions energy: -113.054
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.735
local terms energy: -71.961535
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.068
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: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -167.039264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.039264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.039264 (E_RNA)
where:
Base-Base interactions energy: -102.080
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.023
local terms energy: -64.935840
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -125.410210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.410210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.410210 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -38.858
Base-Backbone interact. energy: -0.141
local terms energy: -53.600479
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -105.288786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.288786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.288786 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -35.728
Base-Backbone interact. energy: -0.241
local terms energy: -61.473158
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.064
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: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -102.174364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.174364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.174364 (E_RNA)
where:
Base-Base interactions energy: -44.833
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.030
local terms energy: -57.311150
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -98.980735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.980735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.980735 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.100
local terms energy: -67.327947
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -89.622284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.622284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.622284 (E_RNA)
where:
Base-Base interactions energy: -31.243
where: short stacking energy: -30.835
Base-Backbone interact. energy: 0.539
local terms energy: -58.918133
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -90.305281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.305281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.305281 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.498
local terms energy: -45.448896
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -71.969709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.969709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.969709 (E_RNA)
where:
Base-Base interactions energy: -27.695
where: short stacking energy: -12.202
Base-Backbone interact. energy: -0.739
local terms energy: -43.536423
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: 0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -202.378389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.378389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.378389 (E_RNA)
where:
Base-Base interactions energy: -123.538
where: short stacking energy: -67.989
Base-Backbone interact. energy: -0.011
local terms energy: -78.829109
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -22.590
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: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -180.160070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160070 (E_RNA)
where:
Base-Base interactions energy: -113.309
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.286
local terms energy: -66.565242
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -161.181849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.181849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.181849 (E_RNA)
where:
Base-Base interactions energy: -90.483
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.663
local terms energy: -70.035655
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -128.453779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.453779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.453779 (E_RNA)
where:
Base-Base interactions energy: -67.361
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.676
local terms energy: -60.416700
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -109.467832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.467832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.467832 (E_RNA)
where:
Base-Base interactions energy: -50.490
where: short stacking energy: -35.146
Base-Backbone interact. energy: -0.831
local terms energy: -58.146595
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -5.572
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: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -93.458768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.458768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.458768 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.019
local terms energy: -56.990612
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -87.989949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.989949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.989949 (E_RNA)
where:
Base-Base interactions energy: -39.179
where: short stacking energy: -27.623
Base-Backbone interact. energy: -0.159
local terms energy: -48.651705
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -87.973384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.973384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.973384 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.128
local terms energy: -57.205438
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -82.890356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.890356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.890356 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -24.212
Base-Backbone interact. energy: -0.081
local terms energy: -46.467498
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.570519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.570519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.570519 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.031
local terms energy: -50.977370
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -195.670392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.670392 (E_RNA)
where:
Base-Base interactions energy: -119.603
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.025
local terms energy: -76.042189
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -184.161778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.161778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.161778 (E_RNA)
where:
Base-Base interactions energy: -112.532
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.248
local terms energy: -71.382331
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -172.823742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.823742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.823742 (E_RNA)
where:
Base-Base interactions energy: -103.043
where: short stacking energy: -55.867
Base-Backbone interact. energy: 0.116
local terms energy: -69.896227
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -119.853751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.853751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.853751 (E_RNA)
where:
Base-Base interactions energy: -57.926
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.255
local terms energy: -61.672381
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -108.200581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.200581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.200581 (E_RNA)
where:
Base-Base interactions energy: -54.462
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.367
local terms energy: -53.370891
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -94.521387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.521387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.521387 (E_RNA)
where:
Base-Base interactions energy: -35.790
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.239
local terms energy: -58.492042
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -85.201867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.201867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.201867 (E_RNA)
where:
Base-Base interactions energy: -30.319
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.040
local terms energy: -54.842783
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -95.989761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.989761 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -34.617
Base-Backbone interact. energy: -0.194
local terms energy: -61.066695
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -81.507638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507638 (E_RNA)
where:
Base-Base interactions energy: -35.712
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.594
local terms energy: -45.201772
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -78.643666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643666 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.265
local terms energy: -47.557631
where:
bonds (distance) C4'-P energy: -6.803
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -4.764
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: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -200.291288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.291288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.291288 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.002
local terms energy: -75.789603
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.607
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: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -184.351367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.351367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.351367 (E_RNA)
where:
Base-Base interactions energy: -125.220
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.264
local terms energy: -58.867735
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -6.346
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: 490
Temperature: 1.000000
Total energy: -153.527834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.527834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.527834 (E_RNA)
where:
Base-Base interactions energy: -90.043
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.741
local terms energy: -62.743248
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -120.719101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.719101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.719101 (E_RNA)
where:
Base-Base interactions energy: -64.239
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.094
local terms energy: -56.385898
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -118.151587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.151587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.151587 (E_RNA)
where:
Base-Base interactions energy: -66.194
where: short stacking energy: -44.529
Base-Backbone interact. energy: -1.110
local terms energy: -50.847731
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -8.933
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: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -108.758707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758707 (E_RNA)
where:
Base-Base interactions energy: -55.028
where: short stacking energy: -34.084
Base-Backbone interact. energy: -0.215
local terms energy: -53.516237
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -85.143987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.143987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.143987 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.061
local terms energy: -50.204919
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -89.528496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528496 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.248
local terms energy: -50.684134
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -83.480747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.480747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.480747 (E_RNA)
where:
Base-Base interactions energy: -27.049
where: short stacking energy: -24.051
Base-Backbone interact. energy: -0.603
local terms energy: -55.828614
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -6.493
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -81.378630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.378630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.378630 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.221
local terms energy: -49.666108
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -9.302
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: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -207.340584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340584 (E_RNA)
where:
Base-Base interactions energy: -130.430
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.059
local terms energy: -76.851707
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -19.911
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: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -182.422599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.422599 (E_RNA)
where:
Base-Base interactions energy: -117.568
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.245
local terms energy: -64.609001
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.514
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: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -161.610521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.610521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.610521 (E_RNA)
where:
Base-Base interactions energy: -95.540
where: short stacking energy: -44.166
Base-Backbone interact. energy: 1.141
local terms energy: -67.210954
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -126.513762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.513762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.513762 (E_RNA)
where:
Base-Base interactions energy: -73.177
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.044
local terms energy: -53.292350
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -4.318
flat angles P-C4'-P energy: -5.309
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: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -105.127824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.127824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.127824 (E_RNA)
where:
Base-Base interactions energy: -51.862
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.132
local terms energy: -53.133723
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -98.530836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.530836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.530836 (E_RNA)
where:
Base-Base interactions energy: -50.746
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.109
local terms energy: -47.675931
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -10.908
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: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -90.351435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.351435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.351435 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.583
local terms energy: -53.660844
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -77.511021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.511021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.511021 (E_RNA)
where:
Base-Base interactions energy: -30.181
where: short stacking energy: -14.994
Base-Backbone interact. energy: -0.187
local terms energy: -47.142512
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: 1.899
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -83.693523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.693523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.693523 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -30.120
Base-Backbone interact. energy: 0.102
local terms energy: -50.021236
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -81.319366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.319366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.319366 (E_RNA)
where:
Base-Base interactions energy: -36.509
where: short stacking energy: -36.434
Base-Backbone interact. energy: -0.025
local terms energy: -44.784573
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -210.855009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.855009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.855009 (E_RNA)
where:
Base-Base interactions energy: -126.684
where: short stacking energy: -75.849
Base-Backbone interact. energy: -1.067
local terms energy: -83.104526
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -22.730
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: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -192.082943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.082943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.082943 (E_RNA)
where:
Base-Base interactions energy: -124.253
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.416
local terms energy: -67.413766
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.293
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -164.860696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.860696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.860696 (E_RNA)
where:
Base-Base interactions energy: -94.873
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.382
local terms energy: -69.605037
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -124.127852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.127852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.127852 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.008
local terms energy: -66.540334
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -107.808939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.808939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.808939 (E_RNA)
where:
Base-Base interactions energy: -48.570
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.101
local terms energy: -59.138163
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.058
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: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -98.210189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.210189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.210189 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -36.164
Base-Backbone interact. energy: -0.257
local terms energy: -48.215140
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -87.762552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762552 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.115
local terms energy: -51.621065
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.621
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: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -84.974577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974577 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -18.553
Base-Backbone interact. energy: -0.130
local terms energy: -52.549071
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -10.442
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.720036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.720036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.720036 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.057
local terms energy: -53.276243
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.530
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: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -92.108218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108218 (E_RNA)
where:
Base-Base interactions energy: -46.720
where: short stacking energy: -36.308
Base-Backbone interact. energy: -0.231
local terms energy: -45.157024
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -195.675640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.675640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.675640 (E_RNA)
where:
Base-Base interactions energy: -119.061
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.345
local terms energy: -76.269182
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -193.624393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.624393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.624393 (E_RNA)
where:
Base-Base interactions energy: -127.259
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.439
local terms energy: -65.926640
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -14.170
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -161.533387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.533387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.533387 (E_RNA)
where:
Base-Base interactions energy: -86.531
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.107
local terms energy: -74.894982
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -119.453559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.453559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.453559 (E_RNA)
where:
Base-Base interactions energy: -71.919
where: short stacking energy: -41.458
Base-Backbone interact. energy: 1.715
local terms energy: -49.249318
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -108.158072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.158072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.158072 (E_RNA)
where:
Base-Base interactions energy: -44.013
where: short stacking energy: -33.363
Base-Backbone interact. energy: -0.452
local terms energy: -63.692915
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -93.175577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.175577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.175577 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -38.781
Base-Backbone interact. energy: 0.101
local terms energy: -54.494989
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -97.420131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.420131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.420131 (E_RNA)
where:
Base-Base interactions energy: -45.817
where: short stacking energy: -41.568
Base-Backbone interact. energy: 0.861
local terms energy: -52.464514
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -82.243209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.243209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.243209 (E_RNA)
where:
Base-Base interactions energy: -27.949
where: short stacking energy: -22.414
Base-Backbone interact. energy: -0.439
local terms energy: -53.855180
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -86.305702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305702 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -35.507
Base-Backbone interact. energy: -0.008
local terms energy: -50.040166
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.095
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: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -74.634370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634370 (E_RNA)
where:
Base-Base interactions energy: -26.795
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.347
local terms energy: -47.492381
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -3.570
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -205.434192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.434192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.434192 (E_RNA)
where:
Base-Base interactions energy: -123.614
where: short stacking energy: -73.414
Base-Backbone interact. energy: -0.002
local terms energy: -81.817674
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -188.306263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306263 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -50.906
Base-Backbone interact. energy: 0.742
local terms energy: -69.836993
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -9.790
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: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -158.830702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.830702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.830702 (E_RNA)
where:
Base-Base interactions energy: -96.485
where: short stacking energy: -50.363
Base-Backbone interact. energy: -0.948
local terms energy: -61.397989
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.905
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: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -97.017746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.017746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.017746 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.150
local terms energy: -59.365504
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -104.067517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.067517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.067517 (E_RNA)
where:
Base-Base interactions energy: -47.000
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.003
local terms energy: -57.064338
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -12.110
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -118.560343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.560343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.560343 (E_RNA)
where:
Base-Base interactions energy: -57.928
where: short stacking energy: -45.354
Base-Backbone interact. energy: 0.146
local terms energy: -60.778211
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -92.835161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835161 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -34.994
Base-Backbone interact. energy: -0.063
local terms energy: -52.052454
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -1.300
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -86.746240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746240 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -27.403
Base-Backbone interact. energy: -0.151
local terms energy: -52.834603
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -7.254
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: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -84.071463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071463 (E_RNA)
where:
Base-Base interactions energy: -39.639
where: short stacking energy: -39.639
Base-Backbone interact. energy: 0.584
local terms energy: -45.016694
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -65.563227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.563227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.563227 (E_RNA)
where:
Base-Base interactions energy: -23.290
where: short stacking energy: -21.918
Base-Backbone interact. energy: -0.437
local terms energy: -41.836499
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: 4.342
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: 495
Temperature: 0.900000
Total energy: -202.957531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957531 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.001
local terms energy: -81.083911
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -189.392896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.392896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.392896 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.340
local terms energy: -61.888136
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -161.460291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.460291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.460291 (E_RNA)
where:
Base-Base interactions energy: -98.573
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.040
local terms energy: -62.846554
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -121.841633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.841633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.841633 (E_RNA)
where:
Base-Base interactions energy: -60.300
where: short stacking energy: -48.239
Base-Backbone interact. energy: -0.213
local terms energy: -61.328402
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -99.418093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.418093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.418093 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.193
local terms energy: -58.866185
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.320
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: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -101.107540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.107540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.107540 (E_RNA)
where:
Base-Base interactions energy: -48.314
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.055
local terms energy: -52.738553
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -93.564743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.564743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.564743 (E_RNA)
where:
Base-Base interactions energy: -39.188
where: short stacking energy: -25.613
Base-Backbone interact. energy: -0.374
local terms energy: -54.002634
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -93.283497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.283497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.283497 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -42.129
Base-Backbone interact. energy: 1.250
local terms energy: -45.199465
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -83.265141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.265141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.265141 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.330
local terms energy: -42.482340
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: 2.099
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: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -79.301588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.301588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.301588 (E_RNA)
where:
Base-Base interactions energy: -22.960
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.071
local terms energy: -56.270199
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -202.299514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299514 (E_RNA)
where:
Base-Base interactions energy: -121.141
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.089
local terms energy: -81.069758
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -193.415977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.415977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.415977 (E_RNA)
where:
Base-Base interactions energy: -126.794
where: short stacking energy: -55.582
Base-Backbone interact. energy: -1.149
local terms energy: -65.473848
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -9.434
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: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -153.861355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.861355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.861355 (E_RNA)
where:
Base-Base interactions energy: -84.407
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.011
local terms energy: -69.443222
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -123.784237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.784237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.784237 (E_RNA)
where:
Base-Base interactions energy: -63.195
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.105
local terms energy: -60.484180
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -103.954088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.954088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.954088 (E_RNA)
where:
Base-Base interactions energy: -56.983
where: short stacking energy: -27.634
Base-Backbone interact. energy: -1.014
local terms energy: -45.957195
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -99.960572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.960572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.960572 (E_RNA)
where:
Base-Base interactions energy: -49.730
where: short stacking energy: -26.765
Base-Backbone interact. energy: 0.086
local terms energy: -50.317050
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -1.256
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: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -99.329748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.329748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.329748 (E_RNA)
where:
Base-Base interactions energy: -46.631
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.100
local terms energy: -52.598680
where:
bonds (distance) C4'-P energy: -6.686
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -102.414014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.414014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.414014 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -37.619
Base-Backbone interact. energy: -0.010
local terms energy: -64.785424
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -85.772862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.772862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.772862 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.010
local terms energy: -55.181527
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -80.680098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.680098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.680098 (E_RNA)
where:
Base-Base interactions energy: -25.097
where: short stacking energy: -17.319
Base-Backbone interact. energy: -0.225
local terms energy: -55.358476
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -192.550951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550951 (E_RNA)
where:
Base-Base interactions energy: -112.354
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.003
local terms energy: -80.193163
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -192.777060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.777060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.777060 (E_RNA)
where:
Base-Base interactions energy: -124.908
where: short stacking energy: -45.499
Base-Backbone interact. energy: -1.545
local terms energy: -66.323380
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -146.645257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.645257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.645257 (E_RNA)
where:
Base-Base interactions energy: -84.844
where: short stacking energy: -49.745
Base-Backbone interact. energy: -0.256
local terms energy: -61.545653
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -117.787459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.787459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.787459 (E_RNA)
where:
Base-Base interactions energy: -61.807
where: short stacking energy: -43.748
Base-Backbone interact. energy: 1.364
local terms energy: -57.344076
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -119.284558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.284558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.284558 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.000
local terms energy: -70.274560
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -108.936832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.936832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.936832 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.144
local terms energy: -55.580806
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -88.209832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.209832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.209832 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.238
local terms energy: -53.749626
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -80.707355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707355 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.180
local terms energy: -53.789257
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -79.798370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.798370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.798370 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -23.394
Base-Backbone interact. energy: -0.187
local terms energy: -51.045527
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -78.601060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601060 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -22.858
Base-Backbone interact. energy: -0.330
local terms energy: -40.958980
where:
bonds (distance) C4'-P energy: -4.886
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -196.627925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.627925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.627925 (E_RNA)
where:
Base-Base interactions energy: -128.751
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.474
local terms energy: -67.403358
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -194.503407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.503407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.503407 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -74.284
Base-Backbone interact. energy: 0.237
local terms energy: -75.843001
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -161.757074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.757074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.757074 (E_RNA)
where:
Base-Base interactions energy: -89.473
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.451
local terms energy: -71.833480
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -126.759264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.759264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.759264 (E_RNA)
where:
Base-Base interactions energy: -57.137
where: short stacking energy: -46.062
Base-Backbone interact. energy: -0.333
local terms energy: -69.288962
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -116.575699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.575699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.575699 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.138
local terms energy: -60.866946
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -110.957508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.957508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.957508 (E_RNA)
where:
Base-Base interactions energy: -47.368
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.025
local terms energy: -63.564826
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -15.010
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: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -88.037979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037979 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.128
local terms energy: -51.932578
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -85.484169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.484169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.484169 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.132
local terms energy: -49.360216
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -91.702791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.702791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.702791 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.165
local terms energy: -49.923765
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -5.012
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: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -73.848844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848844 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -26.509
Base-Backbone interact. energy: 1.499
local terms energy: -42.736341
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -195.360625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.360625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.360625 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.122
local terms energy: -71.468125
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -192.933748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.933748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.933748 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.205
local terms energy: -75.030394
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -8.786
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: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -175.385113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.385113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385113 (E_RNA)
where:
Base-Base interactions energy: -99.102
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.136
local terms energy: -76.146906
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -116.790190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.790190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.790190 (E_RNA)
where:
Base-Base interactions energy: -54.663
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.208
local terms energy: -61.919226
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -10.944
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: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -101.216626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.216626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.216626 (E_RNA)
where:
Base-Base interactions energy: -54.708
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.401
local terms energy: -46.107376
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -103.329390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.329390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.329390 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -29.273
Base-Backbone interact. energy: -0.181
local terms energy: -61.146075
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -98.955666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.955666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.955666 (E_RNA)
where:
Base-Base interactions energy: -40.246
where: short stacking energy: -40.246
Base-Backbone interact. energy: -0.127
local terms energy: -58.582441
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -96.735230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.735230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.735230 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.240
local terms energy: -48.441196
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -7.992
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: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -76.023624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.023624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.023624 (E_RNA)
where:
Base-Base interactions energy: -20.238
where: short stacking energy: -19.660
Base-Backbone interact. energy: -0.192
local terms energy: -55.593667
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -74.427203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427203 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -24.899
Base-Backbone interact. energy: -0.107
local terms energy: -44.387767
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -6.757
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: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -201.368145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.368145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.368145 (E_RNA)
where:
Base-Base interactions energy: -118.771
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.017
local terms energy: -82.580157
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -14.250
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -178.277359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.277359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.277359 (E_RNA)
where:
Base-Base interactions energy: -110.508
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.873
local terms energy: -66.895829
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -10.459
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: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -181.045118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.045118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.045118 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.673
local terms energy: -66.229450
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -108.442230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.442230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.442230 (E_RNA)
where:
Base-Base interactions energy: -47.501
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.044
local terms energy: -60.897328
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -166.845987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.845987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.845987 (E_RNA)
where:
Base-Base interactions energy: -101.707
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.011
local terms energy: -65.128287
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.997
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: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -95.656052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.656052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.656052 (E_RNA)
where:
Base-Base interactions energy: -48.051
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.395
local terms energy: -47.210794
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -88.818998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.818998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.818998 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -39.715
Base-Backbone interact. energy: 0.411
local terms energy: -48.567063
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -79.773065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773065 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -21.120
Base-Backbone interact. energy: 5.420
local terms energy: -53.963806
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -95.751370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.751370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.751370 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -38.922
Base-Backbone interact. energy: -0.016
local terms energy: -56.812652
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -72.915260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.915260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.915260 (E_RNA)
where:
Base-Base interactions energy: -23.233
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.007
local terms energy: -49.675946
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -193.230301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.230301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230301 (E_RNA)
where:
Base-Base interactions energy: -118.743
where: short stacking energy: -67.698
Base-Backbone interact. energy: -0.002
local terms energy: -74.485186
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -175.244915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.244915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.244915 (E_RNA)
where:
Base-Base interactions energy: -94.652
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.956
local terms energy: -79.636074
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -178.331468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.331468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.331468 (E_RNA)
where:
Base-Base interactions energy: -106.071
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.414
local terms energy: -71.846508
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -163.063681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.063681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.063681 (E_RNA)
where:
Base-Base interactions energy: -92.350
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.735
local terms energy: -69.978215
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -120.492580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.492580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.492580 (E_RNA)
where:
Base-Base interactions energy: -67.142
where: short stacking energy: -47.313
Base-Backbone interact. energy: -0.102
local terms energy: -53.248736
where:
bonds (distance) C4'-P energy: -4.943
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -6.060
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: 6, replica: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -114.965207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.965207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.965207 (E_RNA)
where:
Base-Base interactions energy: -57.429
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.530
local terms energy: -57.006003
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -85.971206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.971206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.971206 (E_RNA)
where:
Base-Base interactions energy: -44.027
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.219
local terms energy: -41.725183
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -7.340
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.412
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: 8, replica: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -78.478472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.478472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.478472 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -29.943
Base-Backbone interact. energy: -0.872
local terms energy: -47.663141
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -77.272692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.272692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.272692 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -27.712
Base-Backbone interact. energy: -0.066
local terms energy: -49.494568
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -83.495857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.495857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.495857 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -30.849
Base-Backbone interact. energy: -0.099
local terms energy: -44.798351
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12944794
moves confirmed later: 14110336
all moves confirmed: 27055130
percent of confirmed moves: 3.381891
current total energy: -157.269986
recalc. total energy: -157.269986
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22327065
moves confirmed later: 26793868
all moves confirmed: 49120933
percent of confirmed moves: 6.140117
current total energy: -133.830543
recalc. total energy: -133.830543
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 23076849
moves confirmed later: 27695765
all moves confirmed: 50772614
percent of confirmed moves: 6.346577
current total energy: -124.247291
recalc. total energy: -124.247291
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 22314107
moves confirmed later: 26792136
all moves confirmed: 49106243
percent of confirmed moves: 6.138280
current total energy: -114.306285
recalc. total energy: -114.306285
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21420984
moves confirmed later: 25603778
all moves confirmed: 47024762
percent of confirmed moves: 5.878095
current total energy: -77.961569
recalc. total energy: -77.961569
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 23541446
moves confirmed later: 28474966
all moves confirmed: 52016412
percent of confirmed moves: 6.502052
current total energy: -52.538770
recalc. total energy: -52.538770
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19669951
moves confirmed later: 23224736
all moves confirmed: 42894687
percent of confirmed moves: 5.361836
current total energy: -63.157711
recalc. total energy: -63.157711
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21744962
moves confirmed later: 25997153
all moves confirmed: 47742115
percent of confirmed moves: 5.967764
current total energy: -42.986357
recalc. total energy: -42.986357
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 23311170
moves confirmed later: 28067679
all moves confirmed: 51378849
percent of confirmed moves: 6.422356
current total energy: -45.791515
recalc. total energy: -45.791515
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23451763
moves confirmed later: 28261825
all moves confirmed: 51713588
percent of confirmed moves: 6.464199
current total energy: -30.001339
recalc. total energy: -30.001339
out arg RESULTS//1/KEDV-3496b595_01
Time of doing 8000000 iterations: 2455.633 seconds