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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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-cc53dbfb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KEDV-cc53dbfb/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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -156.051118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.051118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.051118 (E_RNA)
where:
Base-Base interactions energy: -95.464
where: short stacking energy: -39.257
Base-Backbone interact. energy: -0.205
local terms energy: -60.382097
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -7.610
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: 5
Temperature: 1.000000
Total energy: -121.428998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.428998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.428998 (E_RNA)
where:
Base-Base interactions energy: -59.507
where: short stacking energy: -49.351
Base-Backbone interact. energy: -0.010
local terms energy: -61.912134
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -163.964845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.964845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.964845 (E_RNA)
where:
Base-Base interactions energy: -100.289
where: short stacking energy: -44.569
Base-Backbone interact. energy: -0.547
local terms energy: -63.128870
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -127.446173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.446173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.446173 (E_RNA)
where:
Base-Base interactions energy: -53.225
where: short stacking energy: -49.298
Base-Backbone interact. energy: -0.195
local terms energy: -74.026274
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -105.559967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.559967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.559967 (E_RNA)
where:
Base-Base interactions energy: -50.244
where: short stacking energy: -44.299
Base-Backbone interact. energy: -0.402
local terms energy: -54.913364
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -99.457121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457121 (E_RNA)
where:
Base-Base interactions energy: -49.491
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.290
local terms energy: -49.675542
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -6.159
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: 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: -177.541001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.541001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.541001 (E_RNA)
where:
Base-Base interactions energy: -106.616
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.120
local terms energy: -70.805315
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -13.030
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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -119.172363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.172363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.172363 (E_RNA)
where:
Base-Base interactions energy: -60.492
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.154
local terms energy: -58.526560
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -117.678754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.678754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.678754 (E_RNA)
where:
Base-Base interactions energy: -53.758
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.004
local terms energy: -63.916670
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -14.686
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: 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: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -92.319444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319444 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.085
local terms energy: -55.513585
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -180.049905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.049905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.049905 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.313
local terms energy: -76.193081
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -126.183363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.183363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.183363 (E_RNA)
where:
Base-Base interactions energy: -58.965
where: short stacking energy: -44.831
Base-Backbone interact. energy: -0.410
local terms energy: -66.808555
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -10.089
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: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -119.679650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.679650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.679650 (E_RNA)
where:
Base-Base interactions energy: -59.833
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.045
local terms energy: -59.801671
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -93.003944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.003944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.003944 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -35.027
Base-Backbone interact. energy: -0.127
local terms energy: -55.943501
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -88.304239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.304239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.304239 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -31.957
Base-Backbone interact. energy: 1.009
local terms energy: -53.849148
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: -173.467602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.467602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.467602 (E_RNA)
where:
Base-Base interactions energy: -104.919
where: short stacking energy: -46.557
Base-Backbone interact. energy: 1.091
local terms energy: -69.639646
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -13.204
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: 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: 8
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -132.025154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.025154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.025154 (E_RNA)
where:
Base-Base interactions energy: -66.161
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.007
local terms energy: -65.856209
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -123.550848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.550848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.550848 (E_RNA)
where:
Base-Base interactions energy: -62.506
where: short stacking energy: -50.503
Base-Backbone interact. energy: 0.037
local terms energy: -61.081504
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -7.944
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: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -103.880170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.880170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.880170 (E_RNA)
where:
Base-Base interactions energy: -53.558
where: short stacking energy: -38.705
Base-Backbone interact. energy: 1.336
local terms energy: -51.658658
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -101.736102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.736102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.736102 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.225
local terms energy: -55.580057
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -80.768030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.768030 (E_RNA)
where:
Base-Base interactions energy: -24.819
where: short stacking energy: -22.563
Base-Backbone interact. energy: 1.713
local terms energy: -57.662280
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -12.858
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: 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: -171.195302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.195302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.195302 (E_RNA)
where:
Base-Base interactions energy: -101.386
where: short stacking energy: -47.124
Base-Backbone interact. energy: -1.394
local terms energy: -68.415771
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -122.337122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.337122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.337122 (E_RNA)
where:
Base-Base interactions energy: -56.133
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.586
local terms energy: -65.618438
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -144.836205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.836205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.836205 (E_RNA)
where:
Base-Base interactions energy: -76.414
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.067
local terms energy: -68.355640
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -100.194264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.194264 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.931
local terms energy: -56.827686
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -93.087254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087254 (E_RNA)
where:
Base-Base interactions energy: -44.913
where: short stacking energy: -21.103
Base-Backbone interact. energy: 0.960
local terms energy: -49.134419
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -96.189075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.189075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.189075 (E_RNA)
where:
Base-Base interactions energy: -42.310
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.079
local terms energy: -53.799749
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -91.272589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.272589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.272589 (E_RNA)
where:
Base-Base interactions energy: -40.073
where: short stacking energy: -25.697
Base-Backbone interact. energy: 0.874
local terms energy: -52.073433
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -77.976521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.976521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.976521 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -28.600
Base-Backbone interact. energy: 0.414
local terms energy: -48.617105
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.445
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: 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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -168.938874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.938874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.938874 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.132
local terms energy: -73.509982
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -148.507750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.507750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.507750 (E_RNA)
where:
Base-Base interactions energy: -87.372
where: short stacking energy: -50.839
Base-Backbone interact. energy: -0.549
local terms energy: -60.586891
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -11.116
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: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -127.102478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.102478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.102478 (E_RNA)
where:
Base-Base interactions energy: -67.128
where: short stacking energy: -41.619
Base-Backbone interact. energy: -0.262
local terms energy: -59.711890
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -117.183451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.183451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.183451 (E_RNA)
where:
Base-Base interactions energy: -58.588
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.011
local terms energy: -58.584385
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -105.037944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037944 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.059
local terms energy: -64.619137
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -90.957388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.957388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.957388 (E_RNA)
where:
Base-Base interactions energy: -47.118
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.465
local terms energy: -43.374861
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -82.132600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132600 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.299
local terms energy: -53.264674
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -0.392
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: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -74.827502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.827502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.827502 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -23.085
Base-Backbone interact. energy: -0.336
local terms energy: -44.862047
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -0.464
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: 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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -165.662970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.662970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.662970 (E_RNA)
where:
Base-Base interactions energy: -98.647
where: short stacking energy: -49.758
Base-Backbone interact. energy: -0.008
local terms energy: -67.008166
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -16.351
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: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -145.352046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.352046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.352046 (E_RNA)
where:
Base-Base interactions energy: -74.507
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.045
local terms energy: -70.800338
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -116.160856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.160856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.160856 (E_RNA)
where:
Base-Base interactions energy: -49.811
where: short stacking energy: -47.226
Base-Backbone interact. energy: -0.000
local terms energy: -66.349487
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -102.184382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.184382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.184382 (E_RNA)
where:
Base-Base interactions energy: -44.768
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.185
local terms energy: -57.231514
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -93.110620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.110620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.110620 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.052
local terms energy: -47.533773
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 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: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -86.033484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.033484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.033484 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -27.393
Base-Backbone interact. energy: 1.549
local terms energy: -47.275472
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -85.403365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403365 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -35.612
Base-Backbone interact. energy: -0.001
local terms energy: -46.994583
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.778
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: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.126838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.126838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.126838 (E_RNA)
where:
Base-Base interactions energy: -28.273
where: short stacking energy: -27.274
Base-Backbone interact. energy: -0.117
local terms energy: -46.736513
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.937
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: 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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -176.379277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.379277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.379277 (E_RNA)
where:
Base-Base interactions energy: -103.469
where: short stacking energy: -56.388
Base-Backbone interact. energy: -0.560
local terms energy: -72.350164
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -121.747599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.747599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.747599 (E_RNA)
where:
Base-Base interactions energy: -58.288
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.147
local terms energy: -63.311845
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -11.455
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -115.007671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.007671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.007671 (E_RNA)
where:
Base-Base interactions energy: -52.794
where: short stacking energy: -40.249
Base-Backbone interact. energy: -0.303
local terms energy: -61.910561
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -8.408
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: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -102.733324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.733324 (E_RNA)
where:
Base-Base interactions energy: -48.345
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.107
local terms energy: -54.282255
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.270832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.270832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.270832 (E_RNA)
where:
Base-Base interactions energy: -51.660
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.133
local terms energy: -48.477067
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.177
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: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -87.396267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.396267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.396267 (E_RNA)
where:
Base-Base interactions energy: -42.873
where: short stacking energy: -30.019
Base-Backbone interact. energy: -0.291
local terms energy: -44.232023
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -76.529817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.529817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.529817 (E_RNA)
where:
Base-Base interactions energy: -24.684
where: short stacking energy: -24.684
Base-Backbone interact. energy: -0.216
local terms energy: -51.629707
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.606912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.606912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.606912 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -21.975
Base-Backbone interact. energy: -0.372
local terms energy: -50.558430
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: 1.068
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: 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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -180.373291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.373291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.373291 (E_RNA)
where:
Base-Base interactions energy: -105.507
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.001
local terms energy: -74.864757
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.413
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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -119.834946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.834946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.834946 (E_RNA)
where:
Base-Base interactions energy: -52.200
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.177
local terms energy: -67.458617
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -6.395
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: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -121.838522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.838522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.838522 (E_RNA)
where:
Base-Base interactions energy: -62.751
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.041
local terms energy: -59.046071
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -9.795
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: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -102.704589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.704589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.704589 (E_RNA)
where:
Base-Base interactions energy: -50.253
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.004
local terms energy: -52.447870
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: 1.913
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -104.094485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.094485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.094485 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.217
local terms energy: -52.021889
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.426
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: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -95.693587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.693587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.693587 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.103
local terms energy: -61.244490
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -11.244
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: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -95.970020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970020 (E_RNA)
where:
Base-Base interactions energy: -39.398
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.007
local terms energy: -56.565454
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -84.547603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.547603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.547603 (E_RNA)
where:
Base-Base interactions energy: -31.347
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.066
local terms energy: -53.135297
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -77.520847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.520847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.520847 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.056
local terms energy: -46.503464
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: 3.461
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: 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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -180.828911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.828911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.828911 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.813
local terms energy: -68.510193
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -122.969403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.969403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.969403 (E_RNA)
where:
Base-Base interactions energy: -60.757
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.232
local terms energy: -61.979790
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.983
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -114.897354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.897354 (E_RNA)
where:
Base-Base interactions energy: -54.473
where: short stacking energy: -24.318
Base-Backbone interact. energy: -0.173
local terms energy: -60.251528
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -111.171710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.171710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.171710 (E_RNA)
where:
Base-Base interactions energy: -48.435
where: short stacking energy: -48.435
Base-Backbone interact. energy: 0.491
local terms energy: -63.227386
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -106.529796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.529796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.529796 (E_RNA)
where:
Base-Base interactions energy: -49.812
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.272
local terms energy: -56.446122
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -84.422783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.422783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.422783 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.068
local terms energy: -52.721730
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -95.993025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.993025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.993025 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -37.053
Base-Backbone interact. energy: -0.033
local terms energy: -58.906680
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -74.663822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.663822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.663822 (E_RNA)
where:
Base-Base interactions energy: -29.684
where: short stacking energy: -27.027
Base-Backbone interact. energy: -0.352
local terms energy: -44.627523
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.033350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.033350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.033350 (E_RNA)
where:
Base-Base interactions energy: -20.988
where: short stacking energy: -18.953
Base-Backbone interact. energy: 0.223
local terms energy: -50.268633
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -171.369794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.369794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.369794 (E_RNA)
where:
Base-Base interactions energy: -107.831
where: short stacking energy: -55.761
Base-Backbone interact. energy: 0.223
local terms energy: -63.761025
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -130.284221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.284221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.284221 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.672
local terms energy: -72.860845
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -100.732053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732053 (E_RNA)
where:
Base-Base interactions energy: -38.185
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.183
local terms energy: -62.364494
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -110.632366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.632366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.632366 (E_RNA)
where:
Base-Base interactions energy: -49.781
where: short stacking energy: -37.148
Base-Backbone interact. energy: -0.219
local terms energy: -60.632726
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -4.933
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -87.854124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.854124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.854124 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -24.460
Base-Backbone interact. energy: 0.730
local terms energy: -56.935137
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -99.294891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294891 (E_RNA)
where:
Base-Base interactions energy: -36.225
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.155
local terms energy: -62.915342
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -81.849724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.849724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.849724 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.063
local terms energy: -52.676713
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -87.851008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851008 (E_RNA)
where:
Base-Base interactions energy: -45.346
where: short stacking energy: -14.480
Base-Backbone interact. energy: -0.790
local terms energy: -41.714222
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: 3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -78.001750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001750 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -30.128
Base-Backbone interact. energy: 0.276
local terms energy: -45.766723
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -4.960
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: 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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -173.301690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.301690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.301690 (E_RNA)
where:
Base-Base interactions energy: -103.182
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.185
local terms energy: -69.934517
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -131.151844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.151844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.151844 (E_RNA)
where:
Base-Base interactions energy: -70.159
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.061
local terms energy: -60.931668
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -113.468687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.468687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.468687 (E_RNA)
where:
Base-Base interactions energy: -59.850
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.156
local terms energy: -53.462504
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.436
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: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -99.735212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.735212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.735212 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -38.312
Base-Backbone interact. energy: 0.196
local terms energy: -60.127696
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -4.706
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: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -112.466036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.466036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.466036 (E_RNA)
where:
Base-Base interactions energy: -56.890
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.247
local terms energy: -55.328994
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -95.608533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.608533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.608533 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -33.203
Base-Backbone interact. energy: -0.099
local terms energy: -61.118653
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -90.251361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.251361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.251361 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -29.788
Base-Backbone interact. energy: 0.551
local terms energy: -54.000317
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -13.076
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -74.610674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.610674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.610674 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -26.934
Base-Backbone interact. energy: 0.697
local terms energy: -46.672391
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -1.090
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: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.641168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.641168 (E_RNA)
where:
Base-Base interactions energy: -27.062
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.023
local terms energy: -47.556814
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -171.276476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.276476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.276476 (E_RNA)
where:
Base-Base interactions energy: -108.981
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.000
local terms energy: -62.295215
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -116.756427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.756427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.756427 (E_RNA)
where:
Base-Base interactions energy: -54.901
where: short stacking energy: -48.949
Base-Backbone interact. energy: -0.347
local terms energy: -61.509239
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -110.729535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.729535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.729535 (E_RNA)
where:
Base-Base interactions energy: -49.183
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.238
local terms energy: -61.308270
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -94.901276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.901276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.901276 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -31.705
Base-Backbone interact. energy: -0.264
local terms energy: -49.206669
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: 0.161
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -111.421394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.421394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.421394 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -39.463
Base-Backbone interact. energy: -0.001
local terms energy: -62.141681
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.094
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: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -88.558119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.558119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.558119 (E_RNA)
where:
Base-Base interactions energy: -35.391
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.022
local terms energy: -53.145401
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -6.240
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: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -100.442273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442273 (E_RNA)
where:
Base-Base interactions energy: -41.396
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.040
local terms energy: -59.005955
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.446263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.446263 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -27.987
Base-Backbone interact. energy: -0.122
local terms energy: -51.057496
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -9.433
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.778777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.778777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.778777 (E_RNA)
where:
Base-Base interactions energy: -32.063
where: short stacking energy: -32.063
Base-Backbone interact. energy: -0.282
local terms energy: -41.433297
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -177.916006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.916006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.916006 (E_RNA)
where:
Base-Base interactions energy: -103.078
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.045
local terms energy: -74.793156
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -16.649
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: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -117.758748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.758748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.758748 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.000
local terms energy: -65.546867
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -114.163508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.163508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.163508 (E_RNA)
where:
Base-Base interactions energy: -48.412
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.220
local terms energy: -65.531914
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -104.104546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104546 (E_RNA)
where:
Base-Base interactions energy: -44.223
where: short stacking energy: -40.858
Base-Backbone interact. energy: -0.187
local terms energy: -59.694870
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -114.943390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.943390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.943390 (E_RNA)
where:
Base-Base interactions energy: -48.100
where: short stacking energy: -47.572
Base-Backbone interact. energy: -0.098
local terms energy: -66.745374
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -91.601320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.601320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.601320 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.222
local terms energy: -50.844850
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -10.989
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: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -79.804483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.804483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.804483 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.182
local terms energy: -46.954312
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.352
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: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.141714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141714 (E_RNA)
where:
Base-Base interactions energy: -26.490
where: short stacking energy: -26.490
Base-Backbone interact. energy: -0.017
local terms energy: -54.634237
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -6.744
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: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -80.158917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.158917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.158917 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.111
local terms energy: -50.901158
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -192.333766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.333766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.333766 (E_RNA)
where:
Base-Base interactions energy: -122.888
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.184
local terms energy: -69.261842
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -115.621141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.621141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.621141 (E_RNA)
where:
Base-Base interactions energy: -54.317
where: short stacking energy: -54.317
Base-Backbone interact. energy: -1.182
local terms energy: -60.121336
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -104.115953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.115953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.115953 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.196
local terms energy: -60.514681
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -113.795080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.795080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.795080 (E_RNA)
where:
Base-Base interactions energy: -54.410
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.003
local terms energy: -59.381692
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -6.794
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: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -97.659854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659854 (E_RNA)
where:
Base-Base interactions energy: -42.112
where: short stacking energy: -41.058
Base-Backbone interact. energy: -0.022
local terms energy: -55.525816
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -98.743675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743675 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.275
local terms energy: -51.396723
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.681326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681326 (E_RNA)
where:
Base-Base interactions energy: -45.053
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.471
local terms energy: -43.157178
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -1.121
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: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -84.740608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.740608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.740608 (E_RNA)
where:
Base-Base interactions energy: -30.647
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.044
local terms energy: -54.050381
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -69.220450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.220450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.220450 (E_RNA)
where:
Base-Base interactions energy: -27.111
where: short stacking energy: -22.256
Base-Backbone interact. energy: 0.231
local terms energy: -42.340963
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -2.398
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -198.173557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.173557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.173557 (E_RNA)
where:
Base-Base interactions energy: -120.469
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.575
local terms energy: -77.129759
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -9.526
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -185.309021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.309021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.309021 (E_RNA)
where:
Base-Base interactions energy: -112.696
where: short stacking energy: -69.055
Base-Backbone interact. energy: -0.038
local terms energy: -72.575103
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -118.936143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.936143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.936143 (E_RNA)
where:
Base-Base interactions energy: -56.415
where: short stacking energy: -42.959
Base-Backbone interact. energy: -0.692
local terms energy: -61.829873
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -6.316
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: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -114.237255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.237255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.237255 (E_RNA)
where:
Base-Base interactions energy: -49.029
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.000
local terms energy: -65.207922
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -98.038573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.038573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.038573 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -35.139
Base-Backbone interact. energy: 0.014
local terms energy: -54.018690
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -102.539139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.539139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.539139 (E_RNA)
where:
Base-Base interactions energy: -47.042
where: short stacking energy: -43.472
Base-Backbone interact. energy: 0.009
local terms energy: -55.506223
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -9.462
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: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -97.657629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.657629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.657629 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.105
local terms energy: -47.833915
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -85.470605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470605 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -29.453
Base-Backbone interact. energy: 0.261
local terms energy: -56.278872
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -79.878376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.878376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.878376 (E_RNA)
where:
Base-Base interactions energy: -25.948
where: short stacking energy: -23.013
Base-Backbone interact. energy: 0.040
local terms energy: -53.970363
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -78.416197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.416197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.416197 (E_RNA)
where:
Base-Base interactions energy: -29.039
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.100
local terms energy: -49.277618
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -4.178
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: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -192.233069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233069 (E_RNA)
where:
Base-Base interactions energy: -111.820
where: short stacking energy: -61.076
Base-Backbone interact. energy: 0.270
local terms energy: -80.683059
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -190.842839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842839 (E_RNA)
where:
Base-Base interactions energy: -114.616
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.042
local terms energy: -76.185508
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -151.733418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.733418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.733418 (E_RNA)
where:
Base-Base interactions energy: -80.880
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.179
local terms energy: -70.674685
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -14.709
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -114.619216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.619216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.619216 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.019
local terms energy: -65.932242
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -107.889796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.889796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.889796 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.010
local terms energy: -61.515144
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.621
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: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -97.785003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.785003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.785003 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.036
local terms energy: -51.775640
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -7.638
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: 22
Temperature: 1.200000
Total energy: -100.445339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445339 (E_RNA)
where:
Base-Base interactions energy: -49.573
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.873
local terms energy: -49.999272
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -6.294
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: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -89.484047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484047 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.375
local terms energy: -47.534591
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -90.457605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.457605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.457605 (E_RNA)
where:
Base-Base interactions energy: -40.247
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.190
local terms energy: -50.020356
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -4.815
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: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -79.539274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539274 (E_RNA)
where:
Base-Base interactions energy: -31.961
where: short stacking energy: -31.914
Base-Backbone interact. energy: 0.156
local terms energy: -47.733797
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -2.569
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -197.016943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.016943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016943 (E_RNA)
where:
Base-Base interactions energy: -121.575
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.043
local terms energy: -75.398391
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -196.905273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.905273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.905273 (E_RNA)
where:
Base-Base interactions energy: -118.169
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.071
local terms energy: -78.664810
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -134.519372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.519372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.519372 (E_RNA)
where:
Base-Base interactions energy: -63.864
where: short stacking energy: -45.742
Base-Backbone interact. energy: -0.027
local terms energy: -70.628094
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -109.034018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.034018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.034018 (E_RNA)
where:
Base-Base interactions energy: -58.915
where: short stacking energy: -27.785
Base-Backbone interact. energy: -0.013
local terms energy: -50.105747
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -103.876261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.876261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.876261 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: 0.189
local terms energy: -60.519710
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -11.600
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -110.350355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.350355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.350355 (E_RNA)
where:
Base-Base interactions energy: -60.578
where: short stacking energy: -48.478
Base-Backbone interact. energy: -0.086
local terms energy: -49.686271
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -5.950
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -87.796454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.796454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.796454 (E_RNA)
where:
Base-Base interactions energy: -29.425
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.007
local terms energy: -58.363848
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -106.047792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.047792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.047792 (E_RNA)
where:
Base-Base interactions energy: -54.810
where: short stacking energy: -42.739
Base-Backbone interact. energy: -0.012
local terms energy: -51.225942
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -74.311831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.311831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.311831 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -28.292
Base-Backbone interact. energy: -0.168
local terms energy: -41.403004
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -72.842208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.842208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.842208 (E_RNA)
where:
Base-Base interactions energy: -20.025
where: short stacking energy: -18.699
Base-Backbone interact. energy: -0.117
local terms energy: -52.700322
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -194.432497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.432497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.432497 (E_RNA)
where:
Base-Base interactions energy: -110.802
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.006
local terms energy: -83.624314
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -174.145570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.145570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.145570 (E_RNA)
where:
Base-Base interactions energy: -105.315
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.030
local terms energy: -68.799967
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -129.140734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.140734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.140734 (E_RNA)
where:
Base-Base interactions energy: -66.255
where: short stacking energy: -48.962
Base-Backbone interact. energy: -0.147
local terms energy: -62.738422
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -10.630
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: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -113.602979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.602979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.602979 (E_RNA)
where:
Base-Base interactions energy: -50.863
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.152
local terms energy: -62.588588
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -8.043
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -107.072194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072194 (E_RNA)
where:
Base-Base interactions energy: -53.677
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.030
local terms energy: -53.364877
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -7.354
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: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -105.587508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.587508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.587508 (E_RNA)
where:
Base-Base interactions energy: -50.414
where: short stacking energy: -44.438
Base-Backbone interact. energy: -0.019
local terms energy: -55.154140
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -11.561
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: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -85.830071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830071 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.173
local terms energy: -50.390348
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -91.978819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978819 (E_RNA)
where:
Base-Base interactions energy: -49.644
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.527
local terms energy: -41.807432
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -87.139866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139866 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.111
local terms energy: -41.980144
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -77.065464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065464 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.058
local terms energy: -38.296528
where:
bonds (distance) C4'-P energy: -6.437
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -203.672850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.672850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.672850 (E_RNA)
where:
Base-Base interactions energy: -121.693
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.007
local terms energy: -81.973121
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -162.486130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.486130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.486130 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.087
local terms energy: -63.963760
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -122.352401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.352401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.352401 (E_RNA)
where:
Base-Base interactions energy: -66.123
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.562
local terms energy: -55.668292
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -120.771023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.771023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.771023 (E_RNA)
where:
Base-Base interactions energy: -53.892
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.516
local terms energy: -66.363434
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -106.333141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.333141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.333141 (E_RNA)
where:
Base-Base interactions energy: -51.612
where: short stacking energy: -24.192
Base-Backbone interact. energy: -0.204
local terms energy: -54.517481
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -105.915664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.915664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.915664 (E_RNA)
where:
Base-Base interactions energy: -52.541
where: short stacking energy: -39.009
Base-Backbone interact. energy: 1.149
local terms energy: -54.522772
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -93.712499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712499 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.339
local terms energy: -54.947549
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -104.773817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.773817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.773817 (E_RNA)
where:
Base-Base interactions energy: -49.795
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.001
local terms energy: -54.977748
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -83.671983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.671983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.671983 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.550
local terms energy: -48.659294
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -82.686472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686472 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -28.413
Base-Backbone interact. energy: 2.366
local terms energy: -46.904495
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -192.717844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717844 (E_RNA)
where:
Base-Base interactions energy: -118.589
where: short stacking energy: -68.289
Base-Backbone interact. energy: -0.105
local terms energy: -74.024295
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -172.960239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.960239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.960239 (E_RNA)
where:
Base-Base interactions energy: -107.405
where: short stacking energy: -55.864
Base-Backbone interact. energy: -0.321
local terms energy: -65.234308
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.223
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: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -128.031885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.031885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.031885 (E_RNA)
where:
Base-Base interactions energy: -62.974
where: short stacking energy: -44.249
Base-Backbone interact. energy: -1.069
local terms energy: -63.989192
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -94.699005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.699005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.699005 (E_RNA)
where:
Base-Base interactions energy: -33.034
where: short stacking energy: -33.363
Base-Backbone interact. energy: -0.082
local terms energy: -61.583868
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -107.375002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.375002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.375002 (E_RNA)
where:
Base-Base interactions energy: -47.972
where: short stacking energy: -45.579
Base-Backbone interact. energy: 0.889
local terms energy: -60.292516
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -101.675692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675692 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.126
local terms energy: -55.184628
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.330
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: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -80.236556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236556 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.174
local terms energy: -51.803561
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -83.401747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.401747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.401747 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -25.696
Base-Backbone interact. energy: 0.313
local terms energy: -43.223402
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -6.342
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -88.102139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.102139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.102139 (E_RNA)
where:
Base-Base interactions energy: -37.739
where: short stacking energy: -37.739
Base-Backbone interact. energy: 1.614
local terms energy: -51.976926
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -68.416366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.416366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.416366 (E_RNA)
where:
Base-Base interactions energy: -21.510
where: short stacking energy: -21.510
Base-Backbone interact. energy: -0.102
local terms energy: -46.804397
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -196.990546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.990546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.990546 (E_RNA)
where:
Base-Base interactions energy: -122.231
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.001
local terms energy: -74.758647
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -181.401729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401729 (E_RNA)
where:
Base-Base interactions energy: -104.737
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.010
local terms energy: -76.654173
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.346
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: 27
Temperature: 1.000000
Total energy: -131.163135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.163135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.163135 (E_RNA)
where:
Base-Base interactions energy: -61.159
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.001
local terms energy: -70.003111
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -16.710
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: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -101.730084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.730084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.730084 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.544
local terms energy: -54.061673
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -4.598
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -140.041871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.041871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.041871 (E_RNA)
where:
Base-Base interactions energy: -69.536
where: short stacking energy: -51.919
Base-Backbone interact. energy: 0.272
local terms energy: -70.777863
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -108.941325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.941325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.941325 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.673
local terms energy: -60.049322
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -91.074988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074988 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.136
local terms energy: -58.858808
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -84.432104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432104 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.856
local terms energy: -49.789081
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.087598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087598 (E_RNA)
where:
Base-Base interactions energy: -52.983
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.289
local terms energy: -38.816314
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -4.565
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -78.028180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.028180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.028180 (E_RNA)
where:
Base-Base interactions energy: -29.032
where: short stacking energy: -29.032
Base-Backbone interact. energy: -0.172
local terms energy: -48.823965
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -190.154125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.154125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.154125 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.026
local terms energy: -73.707188
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -180.660280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.660280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.660280 (E_RNA)
where:
Base-Base interactions energy: -107.498
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.002
local terms energy: -73.160351
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.160
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: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -128.325210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.325210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.325210 (E_RNA)
where:
Base-Base interactions energy: -58.259
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.822
local terms energy: -69.244599
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -108.706281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.706281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.706281 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -34.457
Base-Backbone interact. energy: -0.719
local terms energy: -55.873908
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -143.642051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.642051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.642051 (E_RNA)
where:
Base-Base interactions energy: -86.804
where: short stacking energy: -45.312
Base-Backbone interact. energy: -0.359
local terms energy: -56.478935
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -7.850
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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -115.707844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.707844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.707844 (E_RNA)
where:
Base-Base interactions energy: -56.570
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.002
local terms energy: -59.136169
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -85.697030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.697030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.697030 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -36.547
Base-Backbone interact. energy: -0.198
local terms energy: -47.390436
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -5.977
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: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -79.190884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.190884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.190884 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.243
local terms energy: -42.929334
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -82.644278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.644278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.644278 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -26.146
Base-Backbone interact. energy: 0.100
local terms energy: -45.301426
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -75.520229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.520229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.520229 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -18.251
Base-Backbone interact. energy: -0.360
local terms energy: -44.719586
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: 2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -189.182178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182178 (E_RNA)
where:
Base-Base interactions energy: -113.053
where: short stacking energy: -62.843
Base-Backbone interact. energy: -0.008
local terms energy: -76.120909
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.684
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: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -181.409178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.409178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.409178 (E_RNA)
where:
Base-Base interactions energy: -109.473
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.002
local terms energy: -71.934258
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -147.843581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.843581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.843581 (E_RNA)
where:
Base-Base interactions energy: -75.709
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.356
local terms energy: -71.778520
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -135.502144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.502144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.502144 (E_RNA)
where:
Base-Base interactions energy: -75.369
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.024
local terms energy: -60.108845
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -90.314508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314508 (E_RNA)
where:
Base-Base interactions energy: -32.750
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.046
local terms energy: -57.518274
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.208
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: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -97.302922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.302922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.302922 (E_RNA)
where:
Base-Base interactions energy: -42.582
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.212
local terms energy: -54.508300
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -85.774876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774876 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -35.915
Base-Backbone interact. energy: -0.081
local terms energy: -49.779295
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -10.703
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: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -79.241551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241551 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -22.332
Base-Backbone interact. energy: -0.047
local terms energy: -51.285066
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -76.405825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405825 (E_RNA)
where:
Base-Base interactions energy: -22.333
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.096
local terms energy: -53.977019
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -73.838879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.838879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.838879 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.277
local terms energy: -44.477000
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -185.927823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.927823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.927823 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -63.150
Base-Backbone interact. energy: 0.818
local terms energy: -73.255591
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.161
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -175.299608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.299608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.299608 (E_RNA)
where:
Base-Base interactions energy: -106.723
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.121
local terms energy: -68.455847
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -153.965480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.965480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.965480 (E_RNA)
where:
Base-Base interactions energy: -80.051
where: short stacking energy: -52.575
Base-Backbone interact. energy: -1.527
local terms energy: -72.386788
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -121.977203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.977203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.977203 (E_RNA)
where:
Base-Base interactions energy: -59.461
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.134
local terms energy: -62.382359
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.466
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -110.485808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.485808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.485808 (E_RNA)
where:
Base-Base interactions energy: -54.079
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.084
local terms energy: -56.322486
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -95.442817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.442817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.442817 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -30.654
Base-Backbone interact. energy: 0.590
local terms energy: -54.537517
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -94.487234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.487234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.487234 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -34.541
Base-Backbone interact. energy: -0.400
local terms energy: -54.839377
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -89.989821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.989821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.989821 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.106
local terms energy: -55.609310
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -91.135184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135184 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.139
local terms energy: -57.474920
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.708
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: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -68.561745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.561745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.561745 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -20.400
Base-Backbone interact. energy: -0.108
local terms energy: -44.246021
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -10.524
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -196.089556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.089556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.089556 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.020
local terms energy: -79.049628
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -151.925694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.925694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.925694 (E_RNA)
where:
Base-Base interactions energy: -85.591
where: short stacking energy: -47.158
Base-Backbone interact. energy: -0.060
local terms energy: -66.274214
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -10.089
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -163.262257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262257 (E_RNA)
where:
Base-Base interactions energy: -89.964
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.007
local terms energy: -73.291579
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.130
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: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -107.512108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.512108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.512108 (E_RNA)
where:
Base-Base interactions energy: -52.706
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.571
local terms energy: -54.235131
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -110.837503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.837503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.837503 (E_RNA)
where:
Base-Base interactions energy: -52.954
where: short stacking energy: -41.101
Base-Backbone interact. energy: -0.074
local terms energy: -57.809779
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -97.125145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.125145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.125145 (E_RNA)
where:
Base-Base interactions energy: -35.479
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.092
local terms energy: -61.554013
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -96.837435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.837435 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.228
local terms energy: -59.885222
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -101.318188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.318188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.318188 (E_RNA)
where:
Base-Base interactions energy: -40.908
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.049
local terms energy: -60.362109
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -5.547
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: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -116.437987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.437987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.437987 (E_RNA)
where:
Base-Base interactions energy: -67.031
where: short stacking energy: -16.271
Base-Backbone interact. energy: -0.363
local terms energy: -49.043947
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -70.526570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.526570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.526570 (E_RNA)
where:
Base-Base interactions energy: -24.694
where: short stacking energy: -24.694
Base-Backbone interact. energy: -0.582
local terms energy: -45.250574
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.881
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: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -202.992747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.992747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.992747 (E_RNA)
where:
Base-Base interactions energy: -123.727
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.004
local terms energy: -79.262125
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -155.770124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.770124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.770124 (E_RNA)
where:
Base-Base interactions energy: -92.264
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.102
local terms energy: -63.403998
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -177.581424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.581424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.581424 (E_RNA)
where:
Base-Base interactions energy: -101.195
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.094
local terms energy: -76.292706
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -119.224794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.224794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.224794 (E_RNA)
where:
Base-Base interactions energy: -46.086
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.821
local terms energy: -72.318080
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -88.656433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.656433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.656433 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.083
local terms energy: -57.858323
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -96.857934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.857934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.857934 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.078
local terms energy: -60.504069
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -99.737009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.737009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.737009 (E_RNA)
where:
Base-Base interactions energy: -47.726
where: short stacking energy: -42.703
Base-Backbone interact. energy: 0.138
local terms energy: -52.149244
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -83.842117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.842117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.842117 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -23.838
Base-Backbone interact. energy: -0.274
local terms energy: -49.210032
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: 1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -89.489375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489375 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.407
local terms energy: -51.054431
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.787
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: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -81.786123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786123 (E_RNA)
where:
Base-Base interactions energy: -40.282
where: short stacking energy: -28.689
Base-Backbone interact. energy: 0.052
local terms energy: -41.556250
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -202.926747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.926747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.926747 (E_RNA)
where:
Base-Base interactions energy: -118.637
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.036
local terms energy: -84.253319
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -153.250410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.250410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.250410 (E_RNA)
where:
Base-Base interactions energy: -95.846
where: short stacking energy: -43.974
Base-Backbone interact. energy: -0.065
local terms energy: -57.339580
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -154.712619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.712619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.712619 (E_RNA)
where:
Base-Base interactions energy: -83.725
where: short stacking energy: -53.433
Base-Backbone interact. energy: -0.027
local terms energy: -70.961291
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -107.324905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.324905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.324905 (E_RNA)
where:
Base-Base interactions energy: -50.246
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.182
local terms energy: -56.896967
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -9.387
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: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -133.433579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.433579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.433579 (E_RNA)
where:
Base-Base interactions energy: -62.246
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.011
local terms energy: -71.177027
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -104.278057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.278057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.278057 (E_RNA)
where:
Base-Base interactions energy: -55.446
where: short stacking energy: -36.815
Base-Backbone interact. energy: 0.454
local terms energy: -49.286866
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -92.720630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720630 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.034
local terms energy: -56.739999
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -5.202
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -82.447465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.447465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.447465 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -24.683
Base-Backbone interact. energy: 0.312
local terms energy: -53.770298
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -85.509471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509471 (E_RNA)
where:
Base-Base interactions energy: -31.571
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.029
local terms energy: -53.909717
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -1.024
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -71.025697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.025697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.025697 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -22.792
Base-Backbone interact. energy: -0.641
local terms energy: -41.985472
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -201.795652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.795652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.795652 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.048
local terms energy: -75.531198
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -163.480537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.480537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.480537 (E_RNA)
where:
Base-Base interactions energy: -102.322
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.621
local terms energy: -60.538098
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -153.021640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.021640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.021640 (E_RNA)
where:
Base-Base interactions energy: -89.081
where: short stacking energy: -52.008
Base-Backbone interact. energy: -0.072
local terms energy: -63.868591
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -109.015089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.015089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.015089 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -45.061
Base-Backbone interact. energy: -0.004
local terms energy: -63.950268
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -108.454882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.454882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.454882 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -44.368
Base-Backbone interact. energy: -1.001
local terms energy: -63.085539
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -5.466
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: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -97.834811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834811 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -42.382
Base-Backbone interact. energy: -0.161
local terms energy: -53.697832
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -99.665656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.665656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.665656 (E_RNA)
where:
Base-Base interactions energy: -55.784
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.207
local terms energy: -43.674721
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -0.093
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -90.014450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.014450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.014450 (E_RNA)
where:
Base-Base interactions energy: -44.061
where: short stacking energy: -29.821
Base-Backbone interact. energy: 1.978
local terms energy: -47.932084
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -5.587
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: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -82.025485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025485 (E_RNA)
where:
Base-Base interactions energy: -41.112
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.239
local terms energy: -40.674647
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -81.195129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.195129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.195129 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.295
local terms energy: -51.812473
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -202.710879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.710879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.710879 (E_RNA)
where:
Base-Base interactions energy: -124.234
where: short stacking energy: -77.941
Base-Backbone interact. energy: -0.008
local terms energy: -78.468970
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -22.490
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: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -160.444964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.444964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.444964 (E_RNA)
where:
Base-Base interactions energy: -94.822
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.715
local terms energy: -64.907521
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -161.881042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.881042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.881042 (E_RNA)
where:
Base-Base interactions energy: -102.532
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.120
local terms energy: -59.228133
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -105.020081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.020081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.020081 (E_RNA)
where:
Base-Base interactions energy: -44.592
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.263
local terms energy: -60.165339
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -120.361591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.361591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.361591 (E_RNA)
where:
Base-Base interactions energy: -61.434
where: short stacking energy: -44.966
Base-Backbone interact. energy: -0.013
local terms energy: -58.914488
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -96.486190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.486190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.486190 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.035
local terms energy: -60.373742
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -89.482708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.482708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.482708 (E_RNA)
where:
Base-Base interactions energy: -30.199
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.798
local terms energy: -58.485787
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -81.296118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.296118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.296118 (E_RNA)
where:
Base-Base interactions energy: -31.197
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.013
local terms energy: -50.085504
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -3.368
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: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -102.801623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.801623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.801623 (E_RNA)
where:
Base-Base interactions energy: -45.937
where: short stacking energy: -26.623
Base-Backbone interact. energy: -0.128
local terms energy: -56.736673
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -9.680
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -73.490306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.490306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.490306 (E_RNA)
where:
Base-Base interactions energy: -26.721
where: short stacking energy: -23.763
Base-Backbone interact. energy: -0.109
local terms energy: -46.659851
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -11.621
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: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -198.517590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.517590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.517590 (E_RNA)
where:
Base-Base interactions energy: -121.073
where: short stacking energy: -73.112
Base-Backbone interact. energy: -0.592
local terms energy: -76.852628
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -162.430689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.430689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.430689 (E_RNA)
where:
Base-Base interactions energy: -102.411
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.306
local terms energy: -59.714503
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -164.291096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.291096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.291096 (E_RNA)
where:
Base-Base interactions energy: -108.117
where: short stacking energy: -45.631
Base-Backbone interact. energy: -0.686
local terms energy: -55.487561
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -7.595
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -120.058283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.058283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.058283 (E_RNA)
where:
Base-Base interactions energy: -51.460
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.000
local terms energy: -68.598424
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -109.175313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.175313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.175313 (E_RNA)
where:
Base-Base interactions energy: -52.919
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.009
local terms energy: -56.248081
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -109.120305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.120305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.120305 (E_RNA)
where:
Base-Base interactions energy: -51.286
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.018
local terms energy: -57.816771
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.981
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -103.243208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.243208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.243208 (E_RNA)
where:
Base-Base interactions energy: -44.929
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.103
local terms energy: -58.210711
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -86.785540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.785540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.785540 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.250
local terms energy: -50.412262
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -4.360
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: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -88.154794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.154794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.154794 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.262
local terms energy: -51.716806
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -11.411
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: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -93.754689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754689 (E_RNA)
where:
Base-Base interactions energy: -34.685
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.007
local terms energy: -59.062836
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -192.559137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.559137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.559137 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.043
local terms energy: -73.289153
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -149.489915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.489915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.489915 (E_RNA)
where:
Base-Base interactions energy: -78.102
where: short stacking energy: -54.128
Base-Backbone interact. energy: -0.247
local terms energy: -71.141232
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -178.492416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.492416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.492416 (E_RNA)
where:
Base-Base interactions energy: -109.833
where: short stacking energy: -64.787
Base-Backbone interact. energy: 0.166
local terms energy: -68.825911
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -19.147
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -116.278481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.278481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.278481 (E_RNA)
where:
Base-Base interactions energy: -54.625
where: short stacking energy: -45.944
Base-Backbone interact. energy: -0.639
local terms energy: -61.014390
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -107.915709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.915709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.915709 (E_RNA)
where:
Base-Base interactions energy: -54.689
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.892
local terms energy: -52.335294
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -101.303091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.303091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.303091 (E_RNA)
where:
Base-Base interactions energy: -48.945
where: short stacking energy: -24.338
Base-Backbone interact. energy: -0.634
local terms energy: -51.723986
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: 0.545
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: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -85.731397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.731397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.731397 (E_RNA)
where:
Base-Base interactions energy: -35.723
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.869
local terms energy: -49.138862
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -101.468664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.468664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.468664 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -33.609
Base-Backbone interact. energy: 0.005
local terms energy: -60.855514
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -9.009
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -75.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.548994 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.069
local terms energy: -46.578481
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -70.635541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.635541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.635541 (E_RNA)
where:
Base-Base interactions energy: -20.324
where: short stacking energy: -20.324
Base-Backbone interact. energy: -0.004
local terms energy: -50.307541
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -5.523
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: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -203.314067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.314067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.314067 (E_RNA)
where:
Base-Base interactions energy: -120.444
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.001
local terms energy: -82.869566
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -176.030823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.030823 (E_RNA)
where:
Base-Base interactions energy: -103.298
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.174
local terms energy: -72.558792
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -172.633011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.633011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.633011 (E_RNA)
where:
Base-Base interactions energy: -112.543
where: short stacking energy: -57.515
Base-Backbone interact. energy: -0.097
local terms energy: -59.992513
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -18.677
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -118.344750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.344750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.344750 (E_RNA)
where:
Base-Base interactions energy: -55.120
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.127
local terms energy: -63.098340
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -6.232
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: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -116.820304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.820304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.820304 (E_RNA)
where:
Base-Base interactions energy: -65.917
where: short stacking energy: -31.945
Base-Backbone interact. energy: -0.134
local terms energy: -50.769612
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -108.037054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.037054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.037054 (E_RNA)
where:
Base-Base interactions energy: -50.248
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.019
local terms energy: -57.770458
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -109.116272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.116272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.116272 (E_RNA)
where:
Base-Base interactions energy: -47.097
where: short stacking energy: -45.687
Base-Backbone interact. energy: -1.602
local terms energy: -60.417809
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -98.248012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.248012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.248012 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.113
local terms energy: -51.712219
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -82.230954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.230954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.230954 (E_RNA)
where:
Base-Base interactions energy: -25.554
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.217
local terms energy: -56.460121
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -76.249550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.249550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.249550 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.133
local terms energy: -47.215315
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -3.993
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -193.142743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.142743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.142743 (E_RNA)
where:
Base-Base interactions energy: -114.543
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.125
local terms energy: -78.475568
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.124
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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -176.446374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.446374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.446374 (E_RNA)
where:
Base-Base interactions energy: -105.356
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.062
local terms energy: -71.029134
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -11.700
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: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -163.611918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.611918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.611918 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.906
local terms energy: -66.260736
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -114.295906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.295906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.295906 (E_RNA)
where:
Base-Base interactions energy: -56.031
where: short stacking energy: -34.223
Base-Backbone interact. energy: -1.137
local terms energy: -57.127676
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -116.880723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.880723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.880723 (E_RNA)
where:
Base-Base interactions energy: -64.163
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.133
local terms energy: -52.584535
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -97.643764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.643764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.643764 (E_RNA)
where:
Base-Base interactions energy: -54.779
where: short stacking energy: -33.640
Base-Backbone interact. energy: 1.665
local terms energy: -44.529739
where:
bonds (distance) C4'-P energy: -7.310
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.588
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: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -103.600806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600806 (E_RNA)
where:
Base-Base interactions energy: -49.734
where: short stacking energy: -44.281
Base-Backbone interact. energy: -0.006
local terms energy: -53.861223
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -84.481504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481504 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -39.213
Base-Backbone interact. energy: 0.918
local terms energy: -46.186598
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -77.852763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.852763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.852763 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.028
local terms energy: -47.613562
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -72.948766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.948766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.948766 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.091
local terms energy: -45.528920
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -8.100
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: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -182.747995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747995 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.297
local terms energy: -56.350254
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -193.578862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.578862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.578862 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.025
local terms energy: -74.286046
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -167.649249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.649249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.649249 (E_RNA)
where:
Base-Base interactions energy: -101.022
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.101
local terms energy: -66.525610
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -126.055930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.055930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.055930 (E_RNA)
where:
Base-Base interactions energy: -64.217
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.031
local terms energy: -61.807954
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -130.250292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.250292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.250292 (E_RNA)
where:
Base-Base interactions energy: -75.481
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.585
local terms energy: -54.184019
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -99.082661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082661 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -26.391
Base-Backbone interact. energy: -0.260
local terms energy: -59.904172
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -107.945608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.945608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.945608 (E_RNA)
where:
Base-Base interactions energy: -54.950
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.636
local terms energy: -52.359256
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -10.676
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: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -86.198438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198438 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -31.845
Base-Backbone interact. energy: -0.197
local terms energy: -48.565021
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -0.622
tors. eta vs tors. theta energy: -8.192
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.907672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.907672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.907672 (E_RNA)
where:
Base-Base interactions energy: -37.081
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.143
local terms energy: -52.684511
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -6.135
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: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -78.205938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.205938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.205938 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -15.736
Base-Backbone interact. energy: -0.076
local terms energy: -45.064984
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -182.100886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.100886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.100886 (E_RNA)
where:
Base-Base interactions energy: -108.840
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.616
local terms energy: -72.644591
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -196.314426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.314426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.314426 (E_RNA)
where:
Base-Base interactions energy: -118.488
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.181
local terms energy: -77.645422
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -166.885818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.885818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.885818 (E_RNA)
where:
Base-Base interactions energy: -96.416
where: short stacking energy: -46.476
Base-Backbone interact. energy: -0.006
local terms energy: -70.463718
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -110.878843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.878843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.878843 (E_RNA)
where:
Base-Base interactions energy: -53.739
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.022
local terms energy: -57.117595
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.132
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: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -103.866540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.866540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.866540 (E_RNA)
where:
Base-Base interactions energy: -43.242
where: short stacking energy: -38.854
Base-Backbone interact. energy: -0.062
local terms energy: -60.562013
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -114.803866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.803866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.803866 (E_RNA)
where:
Base-Base interactions energy: -57.680
where: short stacking energy: -43.223
Base-Backbone interact. energy: -1.164
local terms energy: -55.960112
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -93.624752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.624752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.624752 (E_RNA)
where:
Base-Base interactions energy: -36.588
where: short stacking energy: -26.199
Base-Backbone interact. energy: -0.022
local terms energy: -57.014358
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -83.728545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.728545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.728545 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -19.298
Base-Backbone interact. energy: -0.137
local terms energy: -45.385969
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: 1.067
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: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -89.924015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.924015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.924015 (E_RNA)
where:
Base-Base interactions energy: -34.380
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.069
local terms energy: -55.475404
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -7.879
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -76.055808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.055808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.055808 (E_RNA)
where:
Base-Base interactions energy: -21.008
where: short stacking energy: -21.008
Base-Backbone interact. energy: -0.084
local terms energy: -54.963849
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -2.014
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -199.450641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.450641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450641 (E_RNA)
where:
Base-Base interactions energy: -123.888
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.122
local terms energy: -75.440197
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -175.193743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.193743 (E_RNA)
where:
Base-Base interactions energy: -105.680
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.692
local terms energy: -68.821724
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -13.311
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: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -184.649391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.649391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.649391 (E_RNA)
where:
Base-Base interactions energy: -107.833
where: short stacking energy: -67.820
Base-Backbone interact. energy: 1.191
local terms energy: -78.006984
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -123.503558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.503558 (E_RNA)
where:
Base-Base interactions energy: -60.831
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.414
local terms energy: -62.257996
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.542
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -107.473442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.473442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.473442 (E_RNA)
where:
Base-Base interactions energy: -47.317
where: short stacking energy: -28.854
Base-Backbone interact. energy: -0.113
local terms energy: -60.043089
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -105.262234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262234 (E_RNA)
where:
Base-Base interactions energy: -47.413
where: short stacking energy: -47.413
Base-Backbone interact. energy: 0.847
local terms energy: -58.696360
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -81.672461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672461 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.170
local terms energy: -51.271061
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -9.439
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: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -92.592935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.592935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.592935 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.152
local terms energy: -48.206545
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -6.941
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -82.968631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.968631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.968631 (E_RNA)
where:
Base-Base interactions energy: -24.677
where: short stacking energy: -20.452
Base-Backbone interact. energy: -0.362
local terms energy: -57.930090
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -80.501020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.501020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.501020 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -32.662
Base-Backbone interact. energy: -0.088
local terms energy: -44.232155
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -200.105295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.105295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.105295 (E_RNA)
where:
Base-Base interactions energy: -115.987
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.039
local terms energy: -84.079478
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -180.077106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.077106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.077106 (E_RNA)
where:
Base-Base interactions energy: -109.829
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.692
local terms energy: -69.555366
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -173.357716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.357716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.357716 (E_RNA)
where:
Base-Base interactions energy: -102.496
where: short stacking energy: -65.651
Base-Backbone interact. energy: 0.570
local terms energy: -71.432098
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -112.252745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.252745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.252745 (E_RNA)
where:
Base-Base interactions energy: -45.485
where: short stacking energy: -45.485
Base-Backbone interact. energy: -0.261
local terms energy: -66.506651
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -12.453
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: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -119.406255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.406255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.406255 (E_RNA)
where:
Base-Base interactions energy: -69.074
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.124
local terms energy: -50.208063
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -3.397
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -108.763914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.763914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.763914 (E_RNA)
where:
Base-Base interactions energy: -43.518
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.154
local terms energy: -65.091636
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -11.203
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -101.936110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.936110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.936110 (E_RNA)
where:
Base-Base interactions energy: -45.363
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.198
local terms energy: -56.375760
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -90.454742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454742 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.015
local terms energy: -51.083593
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -9.092
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: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -76.732278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.732278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.732278 (E_RNA)
where:
Base-Base interactions energy: -23.467
where: short stacking energy: -18.051
Base-Backbone interact. energy: -0.864
local terms energy: -52.402173
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -3.683
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: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -80.404568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404568 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -24.052
Base-Backbone interact. energy: 1.269
local terms energy: -57.620993
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.271
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -203.936612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.936612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.936612 (E_RNA)
where:
Base-Base interactions energy: -126.505
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.025
local terms energy: -77.406612
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -22.658
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -154.466520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.466520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.466520 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -56.788
Base-Backbone interact. energy: 0.406
local terms energy: -56.838348
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -6.585
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -11.616
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -182.983745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.983745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.983745 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.002
local terms energy: -71.704848
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -124.155706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.155706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.155706 (E_RNA)
where:
Base-Base interactions energy: -66.092
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.112
local terms energy: -57.952438
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -6.438
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: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -105.663484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.663484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.663484 (E_RNA)
where:
Base-Base interactions energy: -45.832
where: short stacking energy: -44.361
Base-Backbone interact. energy: 0.244
local terms energy: -60.075054
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -10.784
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: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -97.752115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.752115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.752115 (E_RNA)
where:
Base-Base interactions energy: -44.793
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.233
local terms energy: -52.726158
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -92.527379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527379 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.120
local terms energy: -56.719397
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -83.095658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095658 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -21.420
Base-Backbone interact. energy: -0.220
local terms energy: -45.267814
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -77.230872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.230872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.230872 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -25.494
Base-Backbone interact. energy: 0.934
local terms energy: -42.383992
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -92.652557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.652557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.652557 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -35.932
Base-Backbone interact. energy: 0.278
local terms energy: -48.049282
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -7.107
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: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -206.303265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.303265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.303265 (E_RNA)
where:
Base-Base interactions energy: -127.781
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.124
local terms energy: -78.398353
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -165.739116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.739116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.739116 (E_RNA)
where:
Base-Base interactions energy: -97.705
where: short stacking energy: -52.545
Base-Backbone interact. energy: -0.066
local terms energy: -67.967823
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -10.821
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: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -150.250802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.250802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.250802 (E_RNA)
where:
Base-Base interactions energy: -91.718
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.070
local terms energy: -58.462780
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -110.936566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.936566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.936566 (E_RNA)
where:
Base-Base interactions energy: -48.144
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.440
local terms energy: -62.353526
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -12.679
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: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -106.807379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.807379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.807379 (E_RNA)
where:
Base-Base interactions energy: -44.006
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.851
local terms energy: -61.950945
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -107.844543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.844543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.844543 (E_RNA)
where:
Base-Base interactions energy: -47.140
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.046
local terms energy: -60.658377
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -95.120926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.120926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.120926 (E_RNA)
where:
Base-Base interactions energy: -36.089
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.193
local terms energy: -58.839636
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -10.916
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: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -88.237803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.237803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.237803 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -31.761
Base-Backbone interact. energy: -0.015
local terms energy: -56.462079
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -6.303
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: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -73.264113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.264113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.264113 (E_RNA)
where:
Base-Base interactions energy: -22.045
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.151
local terms energy: -51.067911
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -6.964
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: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -71.613499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.613499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.613499 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -23.693
Base-Backbone interact. energy: 1.103
local terms energy: -49.023487
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -4.271
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: 46
Temperature: 0.900000
Total energy: -198.594755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.594755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.594755 (E_RNA)
where:
Base-Base interactions energy: -115.378
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.013
local terms energy: -83.203385
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -186.444406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.444406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.444406 (E_RNA)
where:
Base-Base interactions energy: -117.948
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.104
local terms energy: -68.392802
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -155.063865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.063865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.063865 (E_RNA)
where:
Base-Base interactions energy: -85.541
where: short stacking energy: -50.623
Base-Backbone interact. energy: -0.009
local terms energy: -69.514812
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -11.370
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: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -104.637355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.637355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.637355 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.143
local terms energy: -59.777264
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -6.828
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: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -99.596034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.596034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.596034 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.765
local terms energy: -59.918125
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.424
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: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -102.409696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.409696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.409696 (E_RNA)
where:
Base-Base interactions energy: -43.352
where: short stacking energy: -43.352
Base-Backbone interact. energy: -0.094
local terms energy: -58.963345
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -10.304
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -87.179004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179004 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.370
local terms energy: -57.089313
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.532
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: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -89.312371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312371 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.135
local terms energy: -48.659534
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -71.349008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.349008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.349008 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.215
local terms energy: -41.655854
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -68.794844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.794844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.794844 (E_RNA)
where:
Base-Base interactions energy: -20.023
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.144
local terms energy: -48.627829
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -203.799803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.799803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.799803 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.008
local terms energy: -78.877634
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.778
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: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -157.663282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.663282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.663282 (E_RNA)
where:
Base-Base interactions energy: -86.000
where: short stacking energy: -42.564
Base-Backbone interact. energy: -0.411
local terms energy: -71.252507
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -176.295322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.295322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.295322 (E_RNA)
where:
Base-Base interactions energy: -105.957
where: short stacking energy: -50.919
Base-Backbone interact. energy: 2.102
local terms energy: -72.440386
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -13.765
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -102.562374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.562374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.562374 (E_RNA)
where:
Base-Base interactions energy: -40.800
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.179
local terms energy: -61.582781
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -106.967574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.967574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.967574 (E_RNA)
where:
Base-Base interactions energy: -50.657
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.029
local terms energy: -56.281749
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -101.382027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.382027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.382027 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -38.739
Base-Backbone interact. energy: -0.065
local terms energy: -61.314559
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -95.669434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.669434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.669434 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -30.987
Base-Backbone interact. energy: 0.515
local terms energy: -55.726133
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -94.176138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.176138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.176138 (E_RNA)
where:
Base-Base interactions energy: -48.906
where: short stacking energy: -18.112
Base-Backbone interact. energy: 0.052
local terms energy: -45.321776
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -11.581
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: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.769800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.769800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.769800 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.075
local terms energy: -50.939837
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -76.213066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.213066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.213066 (E_RNA)
where:
Base-Base interactions energy: -39.287
where: short stacking energy: -26.629
Base-Backbone interact. energy: 0.616
local terms energy: -37.542252
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -4.853
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -192.826884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826884 (E_RNA)
where:
Base-Base interactions energy: -118.206
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.009
local terms energy: -74.611454
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -180.834271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.834271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.834271 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.036
local terms energy: -66.628180
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -175.322357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.322357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.322357 (E_RNA)
where:
Base-Base interactions energy: -106.322
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.187
local terms energy: -68.813412
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -105.127072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.127072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.127072 (E_RNA)
where:
Base-Base interactions energy: -45.549
where: short stacking energy: -41.750
Base-Backbone interact. energy: -0.153
local terms energy: -59.425441
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -101.992138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.992138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.992138 (E_RNA)
where:
Base-Base interactions energy: -49.030
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.183
local terms energy: -52.779880
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -91.421152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421152 (E_RNA)
where:
Base-Base interactions energy: -47.152
where: short stacking energy: -36.158
Base-Backbone interact. energy: -0.145
local terms energy: -44.124159
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -86.358402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358402 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -13.529
Base-Backbone interact. energy: -0.463
local terms energy: -47.294443
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -97.279355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.279355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.279355 (E_RNA)
where:
Base-Base interactions energy: -42.539
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.086
local terms energy: -54.654887
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -79.451255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.451255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.451255 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -20.659
Base-Backbone interact. energy: 0.164
local terms energy: -49.750772
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -5.778
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: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -72.698572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.698572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.698572 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.536
local terms energy: -43.261183
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -0.330
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -198.553765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.553765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.553765 (E_RNA)
where:
Base-Base interactions energy: -121.143
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.000
local terms energy: -77.410808
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -178.289493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.289493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.289493 (E_RNA)
where:
Base-Base interactions energy: -106.328
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.014
local terms energy: -71.947501
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -141.216558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.216558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.216558 (E_RNA)
where:
Base-Base interactions energy: -77.245
where: short stacking energy: -40.388
Base-Backbone interact. energy: -0.280
local terms energy: -63.691944
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -106.955846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.955846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.955846 (E_RNA)
where:
Base-Base interactions energy: -54.653
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.300
local terms energy: -52.003381
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -111.949088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.949088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.949088 (E_RNA)
where:
Base-Base interactions energy: -51.439
where: short stacking energy: -51.439
Base-Backbone interact. energy: 0.296
local terms energy: -60.806446
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -8.839
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: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -109.160219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.160219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.160219 (E_RNA)
where:
Base-Base interactions energy: -54.441
where: short stacking energy: -37.336
Base-Backbone interact. energy: -0.703
local terms energy: -54.016736
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -93.450459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450459 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -37.474
Base-Backbone interact. energy: -0.071
local terms energy: -55.905673
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -84.289040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.289040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.289040 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -40.082
Base-Backbone interact. energy: -0.155
local terms energy: -44.051775
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -4.042
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: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -80.918764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918764 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -29.937
Base-Backbone interact. energy: -0.046
local terms energy: -38.566034
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -86.900072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.900072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.900072 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -30.546
Base-Backbone interact. energy: 0.442
local terms energy: -53.959993
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -10.143
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: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -183.382333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382333 (E_RNA)
where:
Base-Base interactions energy: -104.144
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.034
local terms energy: -79.203643
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -186.678147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.678147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.678147 (E_RNA)
where:
Base-Base interactions energy: -112.349
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.041
local terms energy: -74.288020
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -147.374724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.374724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.374724 (E_RNA)
where:
Base-Base interactions energy: -82.793
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.045
local terms energy: -64.536565
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -113.435086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.435086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.435086 (E_RNA)
where:
Base-Base interactions energy: -51.484
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.056
local terms energy: -61.895043
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -11.569
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: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -108.869573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.869573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.869573 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -25.850
Base-Backbone interact. energy: -0.015
local terms energy: -65.995720
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -94.437149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437149 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -29.005
Base-Backbone interact. energy: 0.048
local terms energy: -56.599683
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -86.749291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749291 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -32.740
Base-Backbone interact. energy: 0.631
local terms energy: -46.177420
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -83.289042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.289042 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.184
local terms energy: -52.289240
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -84.912468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.912468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.912468 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.458
local terms energy: -50.148717
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -8.240
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -9.364
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: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -79.192391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.192391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.192391 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -21.319
Base-Backbone interact. energy: 1.122
local terms energy: -47.999532
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: 5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -186.205402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.205402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.205402 (E_RNA)
where:
Base-Base interactions energy: -114.309
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.108
local terms energy: -71.788264
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -182.465965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.465965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.465965 (E_RNA)
where:
Base-Base interactions energy: -111.612
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.027
local terms energy: -70.827458
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.193
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -148.176288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.176288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.176288 (E_RNA)
where:
Base-Base interactions energy: -86.045
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.224
local terms energy: -61.908120
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -111.146276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.146276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.146276 (E_RNA)
where:
Base-Base interactions energy: -56.957
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.162
local terms energy: -54.026962
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -99.820370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.820370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.820370 (E_RNA)
where:
Base-Base interactions energy: -37.722
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.181
local terms energy: -61.917094
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -110.096828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.096828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.096828 (E_RNA)
where:
Base-Base interactions energy: -61.370
where: short stacking energy: -28.292
Base-Backbone interact. energy: 1.540
local terms energy: -50.267416
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -10.166
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: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -89.075144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.075144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.075144 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -24.857
Base-Backbone interact. energy: -1.491
local terms energy: -52.789695
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -2.435
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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -94.111863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.111863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.111863 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -27.809
Base-Backbone interact. energy: -0.074
local terms energy: -53.255241
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -10.823
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.481919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481919 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.104
local terms energy: -49.125250
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.445
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: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -77.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.116476 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.255
local terms energy: -50.941158
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -194.234797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234797 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.013
local terms energy: -78.481327
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -180.876985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.876985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.876985 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.174
local terms energy: -63.402124
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -118.405383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.405383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.405383 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -44.509
Base-Backbone interact. energy: -0.994
local terms energy: -67.416749
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -10.699
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: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -125.465179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.465179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.465179 (E_RNA)
where:
Base-Base interactions energy: -74.995
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.081
local terms energy: -50.389484
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -101.382878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.382878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.382878 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -25.802
Base-Backbone interact. energy: -1.486
local terms energy: -58.866104
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -100.570376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.570376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.570376 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.105
local terms energy: -52.234323
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -3.310
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -7.736
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: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -86.915755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915755 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -27.452
Base-Backbone interact. energy: 1.025
local terms energy: -53.466058
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -4.795
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: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -86.384180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.384180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.384180 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.054
local terms energy: -56.231692
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -78.456442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456442 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.376
local terms energy: -48.036527
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -76.241416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.241416 (E_RNA)
where:
Base-Base interactions energy: -26.094
where: short stacking energy: -22.228
Base-Backbone interact. energy: 0.792
local terms energy: -50.939180
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -192.943456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.943456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.943456 (E_RNA)
where:
Base-Base interactions energy: -118.854
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.113
local terms energy: -73.976875
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -186.908978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.908978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.908978 (E_RNA)
where:
Base-Base interactions energy: -114.729
where: short stacking energy: -55.645
Base-Backbone interact. energy: -0.538
local terms energy: -71.642248
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -122.581967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.581967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.581967 (E_RNA)
where:
Base-Base interactions energy: -58.343
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.390
local terms energy: -63.848948
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -127.846566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.846566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.846566 (E_RNA)
where:
Base-Base interactions energy: -63.875
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.098
local terms energy: -63.873195
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -105.977143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.977143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.977143 (E_RNA)
where:
Base-Base interactions energy: -53.718
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.125
local terms energy: -52.133570
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -94.278958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.278958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.278958 (E_RNA)
where:
Base-Base interactions energy: -30.539
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.118
local terms energy: -63.622369
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -105.847128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.847128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.847128 (E_RNA)
where:
Base-Base interactions energy: -48.874
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.059
local terms energy: -56.913992
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -78.599959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599959 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -24.257
Base-Backbone interact. energy: -0.466
local terms energy: -47.218487
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.676
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: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -78.921896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.921896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.921896 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -19.113
Base-Backbone interact. energy: -0.165
local terms energy: -46.011860
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -9.229
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: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -83.367097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367097 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -27.536
Base-Backbone interact. energy: -0.096
local terms energy: -50.562493
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.721
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: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -190.526695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.526695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.526695 (E_RNA)
where:
Base-Base interactions energy: -121.549
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.437
local terms energy: -68.541658
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -11.777
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -195.487777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487777 (E_RNA)
where:
Base-Base interactions energy: -118.913
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.914
local terms energy: -75.660458
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -18.282
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: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -123.930972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.930972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.930972 (E_RNA)
where:
Base-Base interactions energy: -60.687
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.688
local terms energy: -62.556037
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -119.924452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.924452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.924452 (E_RNA)
where:
Base-Base interactions energy: -53.822
where: short stacking energy: -34.079
Base-Backbone interact. energy: -0.120
local terms energy: -65.983279
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -10.008
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: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -105.286213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.286213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.286213 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.134
local terms energy: -59.546653
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -87.704935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704935 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -37.666
Base-Backbone interact. energy: -0.101
local terms energy: -47.519455
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -8.590
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: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -89.648962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.648962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.648962 (E_RNA)
where:
Base-Base interactions energy: -43.918
where: short stacking energy: -29.421
Base-Backbone interact. energy: 0.017
local terms energy: -45.748674
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -90.583673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.583673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.583673 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -33.423
Base-Backbone interact. energy: 0.276
local terms energy: -55.874882
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -6.528
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -80.045344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045344 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.186
local terms energy: -48.424293
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -74.547562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.547562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.547562 (E_RNA)
where:
Base-Base interactions energy: -26.290
where: short stacking energy: -19.728
Base-Backbone interact. energy: -0.165
local terms energy: -48.093092
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -180.881305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.881305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.881305 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -53.414
Base-Backbone interact. energy: -0.100
local terms energy: -72.211607
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -187.220091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.220091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.220091 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.013
local terms energy: -65.482705
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -112.538768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.538768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.538768 (E_RNA)
where:
Base-Base interactions energy: -56.968
where: short stacking energy: -40.109
Base-Backbone interact. energy: -1.802
local terms energy: -53.768939
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -98.968213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968213 (E_RNA)
where:
Base-Base interactions energy: -42.919
where: short stacking energy: -42.919
Base-Backbone interact. energy: -0.006
local terms energy: -56.043521
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -114.688727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.688727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.688727 (E_RNA)
where:
Base-Base interactions energy: -52.772
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.084
local terms energy: -61.832443
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -13.038
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: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -91.756061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.756061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.756061 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -38.126
Base-Backbone interact. energy: -0.111
local terms energy: -51.643789
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -105.821737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.821737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.821737 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.141
local terms energy: -61.521244
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -92.014145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014145 (E_RNA)
where:
Base-Base interactions energy: -43.853
where: short stacking energy: -37.349
Base-Backbone interact. energy: 0.024
local terms energy: -48.184935
where:
bonds (distance) C4'-P energy: -4.466
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.446
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: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -82.991329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.991329 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.016
local terms energy: -51.685188
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.685675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.685675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.685675 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -23.616
Base-Backbone interact. energy: -0.572
local terms energy: -43.607361
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -4.501
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -207.771533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771533 (E_RNA)
where:
Base-Base interactions energy: -132.837
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.783
local terms energy: -74.151237
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.332
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -175.401995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.401995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.401995 (E_RNA)
where:
Base-Base interactions energy: -109.874
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.268
local terms energy: -65.260509
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -117.958982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.958982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.958982 (E_RNA)
where:
Base-Base interactions energy: -52.792
where: short stacking energy: -47.195
Base-Backbone interact. energy: -0.068
local terms energy: -65.098850
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.991
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: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -117.021533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.021533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.021533 (E_RNA)
where:
Base-Base interactions energy: -64.880
where: short stacking energy: -40.070
Base-Backbone interact. energy: -0.031
local terms energy: -52.110749
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -8.008
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: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -96.019974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019974 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.002
local terms energy: -55.316753
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.057
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: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -91.949448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.949448 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -20.868
Base-Backbone interact. energy: -0.338
local terms energy: -58.371669
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -89.212255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.212255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.212255 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.022
local terms energy: -54.635268
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -11.991
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: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -81.817443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.817443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.817443 (E_RNA)
where:
Base-Base interactions energy: -23.875
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.101
local terms energy: -57.840865
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -75.990502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990502 (E_RNA)
where:
Base-Base interactions energy: -25.880
where: short stacking energy: -24.505
Base-Backbone interact. energy: -0.224
local terms energy: -49.886389
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -69.031310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.031310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.031310 (E_RNA)
where:
Base-Base interactions energy: -26.340
where: short stacking energy: -19.315
Base-Backbone interact. energy: -0.179
local terms energy: -42.511836
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -7.302
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: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -212.557211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.557211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.557211 (E_RNA)
where:
Base-Base interactions energy: -128.880
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.159
local terms energy: -83.518012
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -20.036
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -183.165765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.165765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.165765 (E_RNA)
where:
Base-Base interactions energy: -113.926
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.943
local terms energy: -68.296815
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -120.076198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.076198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.076198 (E_RNA)
where:
Base-Base interactions energy: -56.277
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.046
local terms energy: -63.753087
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -123.780917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.780917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.780917 (E_RNA)
where:
Base-Base interactions energy: -52.816
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.247
local terms energy: -70.718066
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -93.637504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.637504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.637504 (E_RNA)
where:
Base-Base interactions energy: -43.051
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.192
local terms energy: -50.394388
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -99.694525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694525 (E_RNA)
where:
Base-Base interactions energy: -44.912
where: short stacking energy: -43.024
Base-Backbone interact. energy: -0.054
local terms energy: -54.728083
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -6.491
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: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -90.255256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255256 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -30.230
Base-Backbone interact. energy: -0.113
local terms energy: -57.835659
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -2.040
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: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -76.424424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.424424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.424424 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.300
local terms energy: -43.078943
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -92.246914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246914 (E_RNA)
where:
Base-Base interactions energy: -48.620
where: short stacking energy: -36.498
Base-Backbone interact. energy: -0.073
local terms energy: -43.554071
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -70.795423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.795423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.795423 (E_RNA)
where:
Base-Base interactions energy: -22.568
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.249
local terms energy: -47.979134
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -6.193
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: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -191.168817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.168817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.168817 (E_RNA)
where:
Base-Base interactions energy: -114.739
where: short stacking energy: -58.774
Base-Backbone interact. energy: -1.103
local terms energy: -75.326660
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -15.321
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: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -207.084376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.084376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.084376 (E_RNA)
where:
Base-Base interactions energy: -132.226
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.237
local terms energy: -74.621017
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -119.025496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.025496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.025496 (E_RNA)
where:
Base-Base interactions energy: -58.465
where: short stacking energy: -44.610
Base-Backbone interact. energy: -0.362
local terms energy: -60.197902
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -108.268905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.268905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.268905 (E_RNA)
where:
Base-Base interactions energy: -50.875
where: short stacking energy: -50.875
Base-Backbone interact. energy: -0.018
local terms energy: -57.376358
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -107.646496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.646496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.646496 (E_RNA)
where:
Base-Base interactions energy: -51.939
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.076
local terms energy: -55.631376
where:
bonds (distance) C4'-P energy: -4.538
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -108.582608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.582608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.582608 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -32.973
Base-Backbone interact. energy: -0.097
local terms energy: -61.547270
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -88.445625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.445625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.445625 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -26.150
Base-Backbone interact. energy: -0.653
local terms energy: -49.714461
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -95.170508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.170508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.170508 (E_RNA)
where:
Base-Base interactions energy: -49.586
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.045
local terms energy: -45.540066
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.385
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: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -79.267768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.267768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.267768 (E_RNA)
where:
Base-Base interactions energy: -24.516
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.118
local terms energy: -54.633346
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -82.866842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.866842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.866842 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -17.925
Base-Backbone interact. energy: 0.816
local terms energy: -46.671524
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -184.999672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.999672 (E_RNA)
where:
Base-Base interactions energy: -124.221
where: short stacking energy: -53.705
Base-Backbone interact. energy: 0.325
local terms energy: -61.103886
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -10.741
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -198.914839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.914839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.914839 (E_RNA)
where:
Base-Base interactions energy: -122.536
where: short stacking energy: -62.153
Base-Backbone interact. energy: 0.408
local terms energy: -76.786973
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -129.789224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.789224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.789224 (E_RNA)
where:
Base-Base interactions energy: -65.843
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.140
local terms energy: -63.806327
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -124.270432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.270432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.270432 (E_RNA)
where:
Base-Base interactions energy: -66.235
where: short stacking energy: -38.047
Base-Backbone interact. energy: 0.539
local terms energy: -58.574022
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -4.858
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: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -92.345581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.345581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.345581 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.088
local terms energy: -62.586285
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -7.831
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: 59
Temperature: 1.150000
Total energy: -110.659453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.659453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.659453 (E_RNA)
where:
Base-Base interactions energy: -53.782
where: short stacking energy: -24.016
Base-Backbone interact. energy: 0.816
local terms energy: -57.692886
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.508
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -105.739589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.739589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.739589 (E_RNA)
where:
Base-Base interactions energy: -47.926
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.005
local terms energy: -57.809364
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -89.507887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507887 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -28.282
Base-Backbone interact. energy: -0.561
local terms energy: -42.131674
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: 0.510
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -80.867039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.867039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.867039 (E_RNA)
where:
Base-Base interactions energy: -31.584
where: short stacking energy: -23.870
Base-Backbone interact. energy: -0.038
local terms energy: -49.244373
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -76.506639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.506639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.506639 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -24.283
Base-Backbone interact. energy: -0.268
local terms energy: -45.175108
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -7.952
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: 60
Temperature: 0.900000
Total energy: -200.756569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756569 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.229
local terms energy: -72.536207
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -182.166679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.166679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.166679 (E_RNA)
where:
Base-Base interactions energy: -108.579
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.222
local terms energy: -73.365073
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.125
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: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -113.795750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.795750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.795750 (E_RNA)
where:
Base-Base interactions energy: -52.202
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.337
local terms energy: -61.256821
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -112.464996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.464996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.464996 (E_RNA)
where:
Base-Base interactions energy: -53.135
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.025
local terms energy: -59.305354
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -116.614092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.614092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.614092 (E_RNA)
where:
Base-Base interactions energy: -58.359
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.009
local terms energy: -58.246700
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -102.742543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.742543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.742543 (E_RNA)
where:
Base-Base interactions energy: -46.847
where: short stacking energy: -47.033
Base-Backbone interact. energy: -0.312
local terms energy: -55.583683
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -5.220
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -89.415512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415512 (E_RNA)
where:
Base-Base interactions energy: -39.125
where: short stacking energy: -33.651
Base-Backbone interact. energy: 1.513
local terms energy: -51.803354
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -5.776
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: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -88.377983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.377983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.377983 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -30.541
Base-Backbone interact. energy: 0.615
local terms energy: -48.159274
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -7.337
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -6.776
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: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -75.118027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.118027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.118027 (E_RNA)
where:
Base-Base interactions energy: -28.733
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.247
local terms energy: -46.137795
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.147198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.147198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.147198 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.150
local terms energy: -55.152537
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -200.774701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.774701 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.027
local terms energy: -75.104313
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -182.180692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.180692 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -65.024
Base-Backbone interact. energy: 0.748
local terms energy: -78.933803
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -18.214
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: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -138.068930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.068930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.068930 (E_RNA)
where:
Base-Base interactions energy: -74.946
where: short stacking energy: -57.036
Base-Backbone interact. energy: -0.012
local terms energy: -63.111059
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -108.489636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.489636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.489636 (E_RNA)
where:
Base-Base interactions energy: -43.918
where: short stacking energy: -42.401
Base-Backbone interact. energy: -0.087
local terms energy: -64.484709
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -10.148
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: 61
Temperature: 1.100000
Total energy: -102.731026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.731026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.731026 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.245
local terms energy: -64.766996
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -94.821645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.821645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.821645 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -36.221
Base-Backbone interact. energy: -0.084
local terms energy: -56.829048
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -96.487389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.487389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.487389 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -32.519
Base-Backbone interact. energy: -0.033
local terms energy: -50.312612
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -82.670972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670972 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -34.832
Base-Backbone interact. energy: 0.686
local terms energy: -47.713030
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -77.752353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.752353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.752353 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -27.946
Base-Backbone interact. energy: 1.402
local terms energy: -50.640551
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.700
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: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -80.255154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255154 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.087
local terms energy: -53.635305
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -3.700
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: 62
Temperature: 0.900000
Total energy: -200.820223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.820223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.820223 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.878
local terms energy: -69.339052
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -177.679487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.679487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.679487 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -68.352
Base-Backbone interact. energy: -0.049
local terms energy: -72.048808
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.512
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -116.795239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.795239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.795239 (E_RNA)
where:
Base-Base interactions energy: -56.879
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.047
local terms energy: -59.868316
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -10.552
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: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -101.423261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.423261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.423261 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.061
local terms energy: -61.808168
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -95.342211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.342211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.342211 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -44.422
Base-Backbone interact. energy: -0.101
local terms energy: -50.819359
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -102.390248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.390248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.390248 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.131
local terms energy: -61.861229
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -12.111
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: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -90.472596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472596 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -37.842
Base-Backbone interact. energy: -0.098
local terms energy: -52.532631
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -99.260997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.260997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.260997 (E_RNA)
where:
Base-Base interactions energy: -54.728
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.322
local terms energy: -44.210993
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -76.128913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.128913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.128913 (E_RNA)
where:
Base-Base interactions energy: -28.156
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.172
local terms energy: -47.801791
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -77.554955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.554955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.554955 (E_RNA)
where:
Base-Base interactions energy: -29.572
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.199
local terms energy: -47.783767
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -204.777182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.777182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.777182 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.004
local terms energy: -75.659491
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -169.708585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.708585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.708585 (E_RNA)
where:
Base-Base interactions energy: -94.697
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.257
local terms energy: -74.755195
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -17.548
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: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -124.766617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.766617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.766617 (E_RNA)
where:
Base-Base interactions energy: -60.639
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.027
local terms energy: -64.100687
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -110.956729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.956729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.956729 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -46.642
Base-Backbone interact. energy: -0.006
local terms energy: -61.758707
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -13.403
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: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -109.059259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.059259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.059259 (E_RNA)
where:
Base-Base interactions energy: -46.784
where: short stacking energy: -44.684
Base-Backbone interact. energy: 1.373
local terms energy: -63.648903
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -9.034
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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -96.896713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.896713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.896713 (E_RNA)
where:
Base-Base interactions energy: -32.916
where: short stacking energy: -32.916
Base-Backbone interact. energy: -0.155
local terms energy: -63.825313
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -11.753
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -88.528493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.528493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.528493 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.111
local terms energy: -57.081917
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -77.670695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670695 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.115
local terms energy: -49.233555
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -79.399931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.399931 (E_RNA)
where:
Base-Base interactions energy: -27.734
where: short stacking energy: -22.465
Base-Backbone interact. energy: 1.249
local terms energy: -52.915054
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.887
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: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -83.756122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.756122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.756122 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.129
local terms energy: -44.221126
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -203.325039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.325039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.325039 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.060
local terms energy: -75.280473
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -16.882
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -165.906082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906082 (E_RNA)
where:
Base-Base interactions energy: -97.070
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.060
local terms energy: -68.776239
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -128.674583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.674583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.674583 (E_RNA)
where:
Base-Base interactions energy: -65.896
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.097
local terms energy: -62.682531
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -106.111180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.111180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.111180 (E_RNA)
where:
Base-Base interactions energy: -46.416
where: short stacking energy: -36.731
Base-Backbone interact. energy: 0.345
local terms energy: -60.040123
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -3.289
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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -107.719473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.719473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.719473 (E_RNA)
where:
Base-Base interactions energy: -45.151
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.314
local terms energy: -62.254473
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -13.358
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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -96.115078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.115078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.115078 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -35.977
Base-Backbone interact. energy: 0.077
local terms energy: -60.215452
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.071
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: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -82.270815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.270815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.270815 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.221
local terms energy: -51.999657
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -87.359089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.359089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.359089 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -30.783
Base-Backbone interact. energy: 2.316
local terms energy: -56.610628
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -76.118097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.118097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.118097 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -24.033
Base-Backbone interact. energy: -0.289
local terms energy: -50.271801
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -67.811264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.811264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.811264 (E_RNA)
where:
Base-Base interactions energy: -18.315
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.477
local terms energy: -49.019727
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -194.641367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.641367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.641367 (E_RNA)
where:
Base-Base interactions energy: -118.222
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.008
local terms energy: -76.412047
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -12.215
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: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -139.409951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.409951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.409951 (E_RNA)
where:
Base-Base interactions energy: -78.643
where: short stacking energy: -48.196
Base-Backbone interact. energy: -0.056
local terms energy: -60.711463
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -4.053
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: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -149.884753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.884753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.884753 (E_RNA)
where:
Base-Base interactions energy: -86.232
where: short stacking energy: -45.007
Base-Backbone interact. energy: -0.001
local terms energy: -63.651563
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -171.285216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.285216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.285216 (E_RNA)
where:
Base-Base interactions energy: -98.949
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.004
local terms energy: -72.332107
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -15.355
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: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -115.225737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.225737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.225737 (E_RNA)
where:
Base-Base interactions energy: -49.057
where: short stacking energy: -49.057
Base-Backbone interact. energy: -0.029
local terms energy: -66.140064
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.266
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: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -107.864058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.864058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.864058 (E_RNA)
where:
Base-Base interactions energy: -44.505
where: short stacking energy: -44.505
Base-Backbone interact. energy: -0.012
local terms energy: -63.346731
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -88.793219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.793219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.793219 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.009
local terms energy: -57.954585
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -7.056
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: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -100.530397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.530397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.530397 (E_RNA)
where:
Base-Base interactions energy: -40.474
where: short stacking energy: -23.644
Base-Backbone interact. energy: -1.595
local terms energy: -58.460938
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -79.652583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.652583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.652583 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -21.137
Base-Backbone interact. energy: -1.013
local terms energy: -47.567613
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -81.121793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.121793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.121793 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -22.789
Base-Backbone interact. energy: -0.121
local terms energy: -48.041000
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -206.529366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.529366 (E_RNA)
where:
Base-Base interactions energy: -125.829
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.087
local terms energy: -80.613603
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -142.754479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.754479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.754479 (E_RNA)
where:
Base-Base interactions energy: -78.331
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.055
local terms energy: -64.368399
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -11.155
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: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -181.893119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.893119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.893119 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -67.924
Base-Backbone interact. energy: 0.526
local terms energy: -63.208090
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -144.503016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.503016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.503016 (E_RNA)
where:
Base-Base interactions energy: -82.931
where: short stacking energy: -48.779
Base-Backbone interact. energy: 0.148
local terms energy: -61.720236
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -107.816955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.816955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.816955 (E_RNA)
where:
Base-Base interactions energy: -48.063
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.181
local terms energy: -59.573334
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -111.977949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.977949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.977949 (E_RNA)
where:
Base-Base interactions energy: -60.398
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.607
local terms energy: -50.972691
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -9.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -104.748994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.748994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.748994 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.072
local terms energy: -61.048095
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -11.033
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: 66
Temperature: 1.250000
Total energy: -83.728638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.728638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.728638 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.389
local terms energy: -42.227075
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -7.234
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.101
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: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -92.276096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.276096 (E_RNA)
where:
Base-Base interactions energy: -46.299
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.433
local terms energy: -45.543739
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -2.626
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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -73.788542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.788542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.788542 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.863
local terms energy: -43.989119
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -193.796188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.796188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.796188 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -65.952
Base-Backbone interact. energy: -1.373
local terms energy: -79.156670
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -179.505221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.505221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.505221 (E_RNA)
where:
Base-Base interactions energy: -104.676
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.133
local terms energy: -74.696670
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -168.494717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.494717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.494717 (E_RNA)
where:
Base-Base interactions energy: -99.217
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.346
local terms energy: -68.931009
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -148.597338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.597338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.597338 (E_RNA)
where:
Base-Base interactions energy: -86.647
where: short stacking energy: -47.976
Base-Backbone interact. energy: -0.125
local terms energy: -61.824721
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -90.957133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.957133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.957133 (E_RNA)
where:
Base-Base interactions energy: -40.901
where: short stacking energy: -30.168
Base-Backbone interact. energy: 1.535
local terms energy: -51.590657
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.639
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -95.061013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.061013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.061013 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -34.536
Base-Backbone interact. energy: -1.593
local terms energy: -52.060698
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -11.876
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: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -91.259199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259199 (E_RNA)
where:
Base-Base interactions energy: -35.536
where: short stacking energy: -30.309
Base-Backbone interact. energy: -0.220
local terms energy: -55.503536
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -85.695434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695434 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.061
local terms energy: -49.908037
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -86.647389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647389 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.028
local terms energy: -48.516909
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.067
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: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -87.766890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766890 (E_RNA)
where:
Base-Base interactions energy: -43.785
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.497
local terms energy: -43.484093
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -0.590
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: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -201.147150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.147150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.147150 (E_RNA)
where:
Base-Base interactions energy: -123.218
where: short stacking energy: -72.910
Base-Backbone interact. energy: -1.086
local terms energy: -76.842611
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -177.657835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.657835 (E_RNA)
where:
Base-Base interactions energy: -101.942
where: short stacking energy: -55.454
Base-Backbone interact. energy: 0.445
local terms energy: -76.161595
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.226
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: 68
Temperature: 1.000000
Total energy: -170.002976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.002976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.002976 (E_RNA)
where:
Base-Base interactions energy: -98.567
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.075
local terms energy: -71.360790
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -11.425
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: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -150.470939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.470939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.470939 (E_RNA)
where:
Base-Base interactions energy: -81.654
where: short stacking energy: -48.030
Base-Backbone interact. energy: 0.315
local terms energy: -69.132380
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -15.368
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -109.704488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.704488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.704488 (E_RNA)
where:
Base-Base interactions energy: -44.239
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.007
local terms energy: -65.458381
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -97.360385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.360385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.360385 (E_RNA)
where:
Base-Base interactions energy: -43.733
where: short stacking energy: -34.203
Base-Backbone interact. energy: 2.482
local terms energy: -56.108582
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.503
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: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -85.471240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471240 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -28.425
Base-Backbone interact. energy: 0.160
local terms energy: -56.185906
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -89.949462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.949462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.949462 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -32.965
Base-Backbone interact. energy: 0.401
local terms energy: -57.384826
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -11.521
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: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.101916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.101916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.101916 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -27.112
Base-Backbone interact. energy: -0.152
local terms energy: -50.738788
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -77.508849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.508849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.508849 (E_RNA)
where:
Base-Base interactions energy: -27.119
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.234
local terms energy: -50.155427
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: 3.756
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: 69
Temperature: 0.900000
Total energy: -202.841608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.841608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.841608 (E_RNA)
where:
Base-Base interactions energy: -127.109
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.007
local terms energy: -75.725995
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -184.289179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.289179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.289179 (E_RNA)
where:
Base-Base interactions energy: -111.742
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.705
local terms energy: -71.843022
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -168.282588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.282588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.282588 (E_RNA)
where:
Base-Base interactions energy: -105.659
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.441
local terms energy: -62.182815
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -1.314
tors. eta vs tors. theta energy: -16.365
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: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -129.820374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.820374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.820374 (E_RNA)
where:
Base-Base interactions energy: -75.650
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.024
local terms energy: -54.146917
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -98.384539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.384539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.384539 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -32.822
Base-Backbone interact. energy: 0.207
local terms energy: -55.480311
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.603
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: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -100.028640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028640 (E_RNA)
where:
Base-Base interactions energy: -47.394
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.040
local terms energy: -52.594239
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -8.563
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: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -83.946436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.946436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.946436 (E_RNA)
where:
Base-Base interactions energy: -44.387
where: short stacking energy: -28.157
Base-Backbone interact. energy: -0.691
local terms energy: -38.867710
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -90.856711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.856711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.856711 (E_RNA)
where:
Base-Base interactions energy: -39.219
where: short stacking energy: -32.606
Base-Backbone interact. energy: 0.822
local terms energy: -52.458957
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -0.414
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -95.478596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.478596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.478596 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.006
local terms energy: -56.570967
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -9.071
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: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -83.886685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.886685 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.036
local terms energy: -54.606553
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -186.981736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.981736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.981736 (E_RNA)
where:
Base-Base interactions energy: -115.535
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.049
local terms energy: -71.397536
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -17.555
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: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -202.086808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.086808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.086808 (E_RNA)
where:
Base-Base interactions energy: -121.520
where: short stacking energy: -74.935
Base-Backbone interact. energy: -0.000
local terms energy: -80.566654
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -174.770859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.770859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.770859 (E_RNA)
where:
Base-Base interactions energy: -105.431
where: short stacking energy: -53.643
Base-Backbone interact. energy: -0.122
local terms energy: -69.217968
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -143.514255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.514255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.514255 (E_RNA)
where:
Base-Base interactions energy: -79.579
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.372
local terms energy: -63.563539
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -102.150200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.150200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.150200 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -33.889
Base-Backbone interact. energy: -0.132
local terms energy: -68.128868
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -92.131145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.131145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.131145 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.122
local terms energy: -55.694905
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -84.943274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943274 (E_RNA)
where:
Base-Base interactions energy: -31.406
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.054
local terms energy: -53.483414
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -98.891918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.891918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.891918 (E_RNA)
where:
Base-Base interactions energy: -44.616
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.077
local terms energy: -54.198488
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -77.641612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.641612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.641612 (E_RNA)
where:
Base-Base interactions energy: -21.640
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.017
local terms energy: -55.984425
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -6.845
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: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -78.142528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.142528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.142528 (E_RNA)
where:
Base-Base interactions energy: -24.896
where: short stacking energy: -21.729
Base-Backbone interact. energy: 1.806
local terms energy: -55.052976
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.545
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: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -191.976370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.976370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.976370 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.001
local terms energy: -71.540761
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -175.569403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.569403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.569403 (E_RNA)
where:
Base-Base interactions energy: -104.245
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.024
local terms energy: -71.299930
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -190.427985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.427985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.427985 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -69.758
Base-Backbone interact. energy: 1.562
local terms energy: -74.220112
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -107.561215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.561215 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -33.101
Base-Backbone interact. energy: -0.657
local terms energy: -60.552041
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -157.653149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653149 (E_RNA)
where:
Base-Base interactions energy: -94.614
where: short stacking energy: -45.444
Base-Backbone interact. energy: -0.663
local terms energy: -62.376511
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -94.427004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427004 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.093
local terms energy: -55.889940
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -8.735
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -95.452532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.452532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.452532 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.254
local terms energy: -52.295932
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -89.877167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877167 (E_RNA)
where:
Base-Base interactions energy: -27.225
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.044
local terms energy: -62.608174
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -73.652617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.652617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.652617 (E_RNA)
where:
Base-Base interactions energy: -30.984
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.412
local terms energy: -42.257089
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -8.704
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: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -76.882686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.882686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.882686 (E_RNA)
where:
Base-Base interactions energy: -24.665
where: short stacking energy: -18.699
Base-Backbone interact. energy: -0.998
local terms energy: -51.220431
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -198.432205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432205 (E_RNA)
where:
Base-Base interactions energy: -125.209
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.107
local terms energy: -73.115427
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -170.268845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.268845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.268845 (E_RNA)
where:
Base-Base interactions energy: -94.090
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.104
local terms energy: -76.075618
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -18.262
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -180.495941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.495941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.495941 (E_RNA)
where:
Base-Base interactions energy: -110.663
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.115
local terms energy: -69.717338
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -119.253988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.253988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.253988 (E_RNA)
where:
Base-Base interactions energy: -64.521
where: short stacking energy: -40.927
Base-Backbone interact. energy: 0.690
local terms energy: -55.422903
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -125.759394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.759394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.759394 (E_RNA)
where:
Base-Base interactions energy: -72.520
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.209
local terms energy: -53.030578
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -10.241
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: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -106.716339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.716339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.716339 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.691
local terms energy: -66.859707
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -97.229306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229306 (E_RNA)
where:
Base-Base interactions energy: -47.312
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.204
local terms energy: -49.713446
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -87.860617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.860617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.860617 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.098
local terms energy: -57.757232
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -75.911140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.911140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.911140 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -16.766
Base-Backbone interact. energy: 1.581
local terms energy: -50.885508
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -82.562869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.562869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.562869 (E_RNA)
where:
Base-Base interactions energy: -25.309
where: short stacking energy: -20.136
Base-Backbone interact. energy: -0.092
local terms energy: -57.162264
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -8.776
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: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -182.473294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.473294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.473294 (E_RNA)
where:
Base-Base interactions energy: -112.470
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.075
local terms energy: -69.928202
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -185.750983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750983 (E_RNA)
where:
Base-Base interactions energy: -110.675
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.359
local terms energy: -74.717121
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -179.190866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.190866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.190866 (E_RNA)
where:
Base-Base interactions energy: -110.521
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.354
local terms energy: -68.315954
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -136.758666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.758666 (E_RNA)
where:
Base-Base interactions energy: -63.912
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.012
local terms energy: -72.835461
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -114.361089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.361089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.361089 (E_RNA)
where:
Base-Base interactions energy: -57.719
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.142
local terms energy: -56.500569
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.523
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: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -92.144735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144735 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -23.043
Base-Backbone interact. energy: 0.653
local terms energy: -53.925911
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -8.274
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: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -102.322303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.322303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.322303 (E_RNA)
where:
Base-Base interactions energy: -51.036
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.013
local terms energy: -51.273976
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -93.287936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287936 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.064
local terms energy: -51.918152
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -9.638
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -70.304212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.304212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.304212 (E_RNA)
where:
Base-Base interactions energy: -25.537
where: short stacking energy: -18.920
Base-Backbone interact. energy: -0.176
local terms energy: -44.591523
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -0.337
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: 73
Temperature: 1.350000
Total energy: -73.282561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.282561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.282561 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.232
local terms energy: -44.897110
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -198.738378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.738378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.738378 (E_RNA)
where:
Base-Base interactions energy: -121.675
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.043
local terms energy: -77.020581
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -184.940912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.940912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.940912 (E_RNA)
where:
Base-Base interactions energy: -115.247
where: short stacking energy: -61.867
Base-Backbone interact. energy: -0.073
local terms energy: -69.620728
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -190.984350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.984350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.984350 (E_RNA)
where:
Base-Base interactions energy: -120.589
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.079
local terms energy: -70.316452
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -14.220
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: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -156.004169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.004169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.004169 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.005
local terms energy: -66.313974
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -15.592
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: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -107.233492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.233492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.233492 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -47.126
Base-Backbone interact. energy: -0.055
local terms energy: -60.052193
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -103.244655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.244655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.244655 (E_RNA)
where:
Base-Base interactions energy: -41.706
where: short stacking energy: -41.706
Base-Backbone interact. energy: -0.025
local terms energy: -61.513571
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -10.550
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -89.759876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759876 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.021
local terms energy: -57.419199
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -88.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.214637 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.076
local terms energy: -49.560735
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -81.485727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485727 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -20.779
Base-Backbone interact. energy: -0.663
local terms energy: -43.068695
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -0.276
tors. eta vs tors. theta energy: -6.023
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -68.921370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.921370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.921370 (E_RNA)
where:
Base-Base interactions energy: -25.671
where: short stacking energy: -18.474
Base-Backbone interact. energy: -0.925
local terms energy: -42.325470
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -209.396806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396806 (E_RNA)
where:
Base-Base interactions energy: -124.358
where: short stacking energy: -76.125
Base-Backbone interact. energy: -1.985
local terms energy: -83.054037
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -22.831
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -178.572702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.572702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.572702 (E_RNA)
where:
Base-Base interactions energy: -111.776
where: short stacking energy: -51.595
Base-Backbone interact. energy: -0.658
local terms energy: -66.138774
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -192.360696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.360696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.360696 (E_RNA)
where:
Base-Base interactions energy: -121.044
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.008
local terms energy: -71.308504
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -7.677
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: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -147.858927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.858927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.858927 (E_RNA)
where:
Base-Base interactions energy: -88.124
where: short stacking energy: -55.770
Base-Backbone interact. energy: -0.000
local terms energy: -59.735016
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -98.882526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.882526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.882526 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.111
local terms energy: -59.329980
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -5.415
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: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -109.234931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.234931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.234931 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -40.927
Base-Backbone interact. energy: 0.317
local terms energy: -67.721393
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -85.998431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.998431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.998431 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -35.512
Base-Backbone interact. energy: -0.135
local terms energy: -49.805355
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -84.133066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133066 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -23.170
Base-Backbone interact. energy: 0.071
local terms energy: -50.065591
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -76.698448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.698448 (E_RNA)
where:
Base-Base interactions energy: -27.289
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.064
local terms energy: -49.344728
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 0.409
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -80.306779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306779 (E_RNA)
where:
Base-Base interactions energy: -26.423
where: short stacking energy: -26.423
Base-Backbone interact. energy: -0.082
local terms energy: -53.801457
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.530
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: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -206.463063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.463063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463063 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.007
local terms energy: -82.738662
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -21.535
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: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -180.397689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397689 (E_RNA)
where:
Base-Base interactions energy: -116.094
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.075
local terms energy: -64.228265
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -176.818439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.818439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.818439 (E_RNA)
where:
Base-Base interactions energy: -112.703
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.019
local terms energy: -64.096040
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -161.407215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.407215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.407215 (E_RNA)
where:
Base-Base interactions energy: -93.489
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.001
local terms energy: -67.916896
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -95.988330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.988330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.988330 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.201
local terms energy: -57.663761
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -2.951
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: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -94.781113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.781113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.781113 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -30.498
Base-Backbone interact. energy: -0.423
local terms energy: -53.551316
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -5.113
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -96.600515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.600515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.600515 (E_RNA)
where:
Base-Base interactions energy: -42.740
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.509
local terms energy: -53.351061
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -76.286948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.286948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.286948 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.163
local terms energy: -47.007178
where:
bonds (distance) C4'-P energy: -5.941
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -8.524
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: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.848066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848066 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -30.166
Base-Backbone interact. energy: -0.281
local terms energy: -52.536855
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -75.922534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.922534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.922534 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.234
local terms energy: -41.101441
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -198.646488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.646488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.646488 (E_RNA)
where:
Base-Base interactions energy: -122.324
where: short stacking energy: -74.746
Base-Backbone interact. energy: -0.016
local terms energy: -76.305843
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -177.155832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.155832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.155832 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.146
local terms energy: -65.871344
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -172.734568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.734568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734568 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.212
local terms energy: -63.620684
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -154.368552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.368552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.368552 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.033
local terms energy: -64.293805
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -12.433
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: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -109.976505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.976505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.976505 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.045
local terms energy: -60.761081
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -102.883955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883955 (E_RNA)
where:
Base-Base interactions energy: -53.074
where: short stacking energy: -48.370
Base-Backbone interact. energy: -1.015
local terms energy: -48.794408
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -7.238
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: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -87.193358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.193358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.193358 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -31.313
Base-Backbone interact. energy: -0.110
local terms energy: -54.194744
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.230
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: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -91.086061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.086061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.086061 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.464
local terms energy: -55.159776
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -83.820806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.820806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.820806 (E_RNA)
where:
Base-Base interactions energy: -42.290
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.157
local terms energy: -41.373994
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -75.585911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.585911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.585911 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.159
local terms energy: -44.801287
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -195.999653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.999653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.999653 (E_RNA)
where:
Base-Base interactions energy: -118.287
where: short stacking energy: -73.130
Base-Backbone interact. energy: 0.813
local terms energy: -78.525789
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -21.089
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: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -161.174152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.174152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.174152 (E_RNA)
where:
Base-Base interactions energy: -94.014
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.666
local terms energy: -66.493831
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -152.423385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.423385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.423385 (E_RNA)
where:
Base-Base interactions energy: -94.606
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.007
local terms energy: -57.810927
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -157.735138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.735138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.735138 (E_RNA)
where:
Base-Base interactions energy: -91.452
where: short stacking energy: -52.548
Base-Backbone interact. energy: -0.137
local terms energy: -66.146180
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -100.716194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.716194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.716194 (E_RNA)
where:
Base-Base interactions energy: -47.535
where: short stacking energy: -43.161
Base-Backbone interact. energy: -0.218
local terms energy: -52.963018
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -99.197910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197910 (E_RNA)
where:
Base-Base interactions energy: -45.877
where: short stacking energy: -38.805
Base-Backbone interact. energy: 0.878
local terms energy: -54.199192
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -98.184862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.184862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.184862 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.162
local terms energy: -51.614815
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -81.040895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.040895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.040895 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.003
local terms energy: -50.023092
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -75.113133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.113133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.113133 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.387
local terms energy: -48.187461
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: 2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -83.197990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.197990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.197990 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -33.631
Base-Backbone interact. energy: -0.029
local terms energy: -49.538169
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -196.507420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.507420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.507420 (E_RNA)
where:
Base-Base interactions energy: -117.982
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.004
local terms energy: -78.520879
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -175.298702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.298702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.298702 (E_RNA)
where:
Base-Base interactions energy: -101.029
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.599
local terms energy: -73.670547
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -174.373312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.373312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.373312 (E_RNA)
where:
Base-Base interactions energy: -111.084
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.105
local terms energy: -63.183561
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -11.657
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: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -141.325983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.325983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.325983 (E_RNA)
where:
Base-Base interactions energy: -75.225
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.647
local terms energy: -65.453902
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -102.780816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.780816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.780816 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.340
local terms energy: -57.167559
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.846
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: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -95.376780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.376780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.376780 (E_RNA)
where:
Base-Base interactions energy: -43.176
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.007
local terms energy: -52.193225
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -89.582019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582019 (E_RNA)
where:
Base-Base interactions energy: -34.073
where: short stacking energy: -28.156
Base-Backbone interact. energy: 0.185
local terms energy: -55.693627
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -12.345
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: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -91.688420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.688420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.688420 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -36.233
Base-Backbone interact. energy: -0.023
local terms energy: -55.307349
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -7.537
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: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -78.687042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687042 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -23.736
Base-Backbone interact. energy: -0.056
local terms energy: -47.991640
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -82.200191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.200191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.200191 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -32.666
Base-Backbone interact. energy: 3.220
local terms energy: -47.647153
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -189.279197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.279197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.279197 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.095
local terms energy: -70.679597
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.221
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -197.942870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.942870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.942870 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -63.727
Base-Backbone interact. energy: -1.020
local terms energy: -77.562783
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -171.175473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.175473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.175473 (E_RNA)
where:
Base-Base interactions energy: -99.317
where: short stacking energy: -48.961
Base-Backbone interact. energy: 0.146
local terms energy: -72.004627
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -139.909177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.909177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.909177 (E_RNA)
where:
Base-Base interactions energy: -72.158
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.106
local terms energy: -67.645106
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.463
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: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -110.138891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.138891 (E_RNA)
where:
Base-Base interactions energy: -51.285
where: short stacking energy: -40.115
Base-Backbone interact. energy: 0.933
local terms energy: -59.786907
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -99.939118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.939118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.939118 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.278
local terms energy: -53.272684
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -93.893972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.893972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.893972 (E_RNA)
where:
Base-Base interactions energy: -48.365
where: short stacking energy: -25.863
Base-Backbone interact. energy: 0.166
local terms energy: -45.695085
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: 3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -86.149379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149379 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -23.726
Base-Backbone interact. energy: -0.115
local terms energy: -49.157638
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -75.502247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.502247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.502247 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -20.941
Base-Backbone interact. energy: 0.363
local terms energy: -43.288997
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -71.321482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.321482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.321482 (E_RNA)
where:
Base-Base interactions energy: -18.909
where: short stacking energy: -18.909
Base-Backbone interact. energy: -0.071
local terms energy: -52.341740
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -202.393384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393384 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -75.656
Base-Backbone interact. energy: -0.002
local terms energy: -78.643380
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -171.210910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.210910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.210910 (E_RNA)
where:
Base-Base interactions energy: -93.617
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.091
local terms energy: -77.502654
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -178.651008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.651008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.651008 (E_RNA)
where:
Base-Base interactions energy: -110.524
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.832
local terms energy: -67.294980
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -138.989884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.989884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.989884 (E_RNA)
where:
Base-Base interactions energy: -88.495
where: short stacking energy: -47.421
Base-Backbone interact. energy: -0.046
local terms energy: -50.448934
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -113.165205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.165205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.165205 (E_RNA)
where:
Base-Base interactions energy: -46.603
where: short stacking energy: -39.741
Base-Backbone interact. energy: -0.259
local terms energy: -66.303214
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -92.338093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338093 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -35.449
Base-Backbone interact. energy: -0.476
local terms energy: -52.593049
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -92.381689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381689 (E_RNA)
where:
Base-Base interactions energy: -32.169
where: short stacking energy: -28.708
Base-Backbone interact. energy: -0.031
local terms energy: -60.182630
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -82.024733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.024733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.024733 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -23.855
Base-Backbone interact. energy: -0.513
local terms energy: -46.138246
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -94.866438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.866438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.866438 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -37.243
Base-Backbone interact. energy: -0.291
local terms energy: -56.560397
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -68.073334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.073334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.073334 (E_RNA)
where:
Base-Base interactions energy: -23.018
where: short stacking energy: -20.726
Base-Backbone interact. energy: -0.273
local terms energy: -44.782236
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -200.085884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.085884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.085884 (E_RNA)
where:
Base-Base interactions energy: -123.675
where: short stacking energy: -76.579
Base-Backbone interact. energy: 0.766
local terms energy: -77.176281
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -21.777
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -174.047406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.047406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.047406 (E_RNA)
where:
Base-Base interactions energy: -99.987
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.173
local terms energy: -73.887387
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -174.280401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.280401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.280401 (E_RNA)
where:
Base-Base interactions energy: -101.945
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.370
local terms energy: -71.964707
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -12.853
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -104.228475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.228475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.228475 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -42.781
Base-Backbone interact. energy: -0.105
local terms energy: -61.342198
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -119.792863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.792863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.792863 (E_RNA)
where:
Base-Base interactions energy: -60.060
where: short stacking energy: -51.627
Base-Backbone interact. energy: -1.310
local terms energy: -58.422474
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -102.840405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.840405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.840405 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.399
local terms energy: -56.750099
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -7.470
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: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -94.751025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751025 (E_RNA)
where:
Base-Base interactions energy: -44.608
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.015
local terms energy: -50.128398
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: 1.764
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.716345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.716345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.716345 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.038
local terms energy: -58.673000
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -82.661015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.661015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.661015 (E_RNA)
where:
Base-Base interactions energy: -29.063
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.112
local terms energy: -53.485654
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -78.452991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.452991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.452991 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.128
local terms energy: -53.013214
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -202.606158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.606158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.606158 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.001
local terms energy: -78.070509
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -187.913527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.913527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.913527 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.017
local terms energy: -67.614477
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -180.809272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.809272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.809272 (E_RNA)
where:
Base-Base interactions energy: -108.476
where: short stacking energy: -48.362
Base-Backbone interact. energy: -0.101
local terms energy: -72.232129
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -12.630
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -123.184114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.184114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.184114 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -52.857
Base-Backbone interact. energy: -0.001
local terms energy: -70.326211
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -15.128
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -109.449897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.449897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.449897 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.847
local terms energy: -61.711656
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -89.527578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.527578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.527578 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.165
local terms energy: -50.511712
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -110.895083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.895083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.895083 (E_RNA)
where:
Base-Base interactions energy: -62.526
where: short stacking energy: -29.530
Base-Backbone interact. energy: -0.433
local terms energy: -47.936604
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -92.890295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890295 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.381
local terms energy: -54.948208
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -72.209715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.209715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.209715 (E_RNA)
where:
Base-Base interactions energy: -27.468
where: short stacking energy: -27.468
Base-Backbone interact. energy: -1.285
local terms energy: -43.456488
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -5.561
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -76.560800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560800 (E_RNA)
where:
Base-Base interactions energy: -27.071
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.070
local terms energy: -49.419883
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.619
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -181.009917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.009917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.009917 (E_RNA)
where:
Base-Base interactions energy: -116.702
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.059
local terms energy: -64.249620
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -192.181264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.181264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.181264 (E_RNA)
where:
Base-Base interactions energy: -112.659
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.000
local terms energy: -79.522300
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -183.770279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.770279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.770279 (E_RNA)
where:
Base-Base interactions energy: -120.468
where: short stacking energy: -53.509
Base-Backbone interact. energy: -0.098
local terms energy: -63.204326
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -118.488002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.488002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.488002 (E_RNA)
where:
Base-Base interactions energy: -67.180
where: short stacking energy: -40.531
Base-Backbone interact. energy: 1.319
local terms energy: -52.626425
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -5.801
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -103.739081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.739081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.739081 (E_RNA)
where:
Base-Base interactions energy: -50.063
where: short stacking energy: -47.755
Base-Backbone interact. energy: -0.003
local terms energy: -53.672510
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -10.128
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -100.026800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.026800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.026800 (E_RNA)
where:
Base-Base interactions energy: -52.315
where: short stacking energy: -41.695
Base-Backbone interact. energy: 0.143
local terms energy: -47.853969
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -98.539379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539379 (E_RNA)
where:
Base-Base interactions energy: -51.324
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.328
local terms energy: -46.887948
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -81.032203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.032203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.032203 (E_RNA)
where:
Base-Base interactions energy: -25.319
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.208
local terms energy: -55.506032
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -78.858432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858432 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.378
local terms energy: -49.685211
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -81.981134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.981134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.981134 (E_RNA)
where:
Base-Base interactions energy: -45.594
where: short stacking energy: -27.554
Base-Backbone interact. energy: -0.158
local terms energy: -36.229032
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -3.627
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -174.898068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.898068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.898068 (E_RNA)
where:
Base-Base interactions energy: -105.348
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.082
local terms energy: -69.468408
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -184.415756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.415756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.415756 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -54.767
Base-Backbone interact. energy: 1.598
local terms energy: -73.720640
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -16.642
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: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -193.832974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832974 (E_RNA)
where:
Base-Base interactions energy: -114.539
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.052
local terms energy: -79.241871
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -108.207794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207794 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.467
local terms energy: -61.353983
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -13.656
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -116.085587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.085587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.085587 (E_RNA)
where:
Base-Base interactions energy: -63.077
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.181
local terms energy: -52.827176
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -6.984
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -109.252335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.252335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.252335 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.575
local terms energy: -48.206498
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -102.213227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.213227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.213227 (E_RNA)
where:
Base-Base interactions energy: -51.509
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.074
local terms energy: -50.630920
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -86.059993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.059993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.059993 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.071
local terms energy: -54.393087
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -88.332346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332346 (E_RNA)
where:
Base-Base interactions energy: -43.640
where: short stacking energy: -33.593
Base-Backbone interact. energy: -0.087
local terms energy: -44.604673
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -3.291
flat angles P-C4'-P energy: -9.525
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: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -82.964435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964435 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -21.403
Base-Backbone interact. energy: -0.247
local terms energy: -49.837543
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -8.716
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: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -192.881733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.881733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.881733 (E_RNA)
where:
Base-Base interactions energy: -116.516
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.083
local terms energy: -76.282583
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -179.484292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.484292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.484292 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.066
local terms energy: -64.139543
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -190.950277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.950277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.950277 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -71.646
Base-Backbone interact. energy: -0.001
local terms energy: -74.569015
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -110.173256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.173256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.173256 (E_RNA)
where:
Base-Base interactions energy: -51.026
where: short stacking energy: -39.434
Base-Backbone interact. energy: -0.131
local terms energy: -59.016740
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -9.581
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: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -106.893567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.893567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.893567 (E_RNA)
where:
Base-Base interactions energy: -48.106
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.121
local terms energy: -58.665803
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -107.635700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.635700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.635700 (E_RNA)
where:
Base-Base interactions energy: -59.737
where: short stacking energy: -26.157
Base-Backbone interact. energy: -0.401
local terms energy: -47.498426
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -96.055208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.055208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.055208 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.215
local terms energy: -57.028168
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -6.134
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: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -83.602748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.602748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.602748 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.514
local terms energy: -49.236355
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -74.609876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.609876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.609876 (E_RNA)
where:
Base-Base interactions energy: -32.655
where: short stacking energy: -22.298
Base-Backbone interact. energy: 0.405
local terms energy: -42.359491
where:
bonds (distance) C4'-P energy: -5.026
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -81.908856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908856 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -23.637
Base-Backbone interact. energy: -1.484
local terms energy: -47.346020
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -8.339
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: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -186.292322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.292322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.292322 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.069
local terms energy: -66.578287
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -194.656104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.656104 (E_RNA)
where:
Base-Base interactions energy: -123.899
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.040
local terms energy: -70.717840
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -15.615
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: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -189.833031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.833031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.833031 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.141
local terms energy: -76.202799
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -124.579958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.579958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.579958 (E_RNA)
where:
Base-Base interactions energy: -53.896
where: short stacking energy: -51.356
Base-Backbone interact. energy: -0.094
local terms energy: -70.589379
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.665
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: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -103.386499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.386499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.386499 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -39.531
Base-Backbone interact. energy: 0.214
local terms energy: -57.456114
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -10.910
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -104.352244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.352244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.352244 (E_RNA)
where:
Base-Base interactions energy: -44.311
where: short stacking energy: -33.544
Base-Backbone interact. energy: -0.369
local terms energy: -59.672635
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -91.992148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992148 (E_RNA)
where:
Base-Base interactions energy: -43.030
where: short stacking energy: -43.030
Base-Backbone interact. energy: -0.004
local terms energy: -48.958242
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -6.244
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -6.610
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: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -100.453379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.453379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.453379 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.253
local terms energy: -54.653896
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -86.148024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148024 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.079
local terms energy: -51.790203
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -86.267695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.267695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.267695 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.035
local terms energy: -56.656993
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.645
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: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -191.112747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.112747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.112747 (E_RNA)
where:
Base-Base interactions energy: -114.692
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.012
local terms energy: -76.408857
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -175.143830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143830 (E_RNA)
where:
Base-Base interactions energy: -107.235
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.215
local terms energy: -67.693790
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -187.792911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.792911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.792911 (E_RNA)
where:
Base-Base interactions energy: -113.311
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.007
local terms energy: -74.474976
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.135
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -106.887031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.887031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.887031 (E_RNA)
where:
Base-Base interactions energy: -46.431
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.555
local terms energy: -59.901273
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -99.660714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.660714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.660714 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -38.840
Base-Backbone interact. energy: 2.250
local terms energy: -58.108002
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -10.769
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: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -99.963774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.963774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.963774 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -35.351
Base-Backbone interact. energy: -0.072
local terms energy: -64.540809
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -9.890
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: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -83.539109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.539109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.539109 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.210
local terms energy: -51.051848
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -85.411020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.411020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.411020 (E_RNA)
where:
Base-Base interactions energy: -31.234
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.087
local terms energy: -54.089920
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -95.889853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.889853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.889853 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -22.918
Base-Backbone interact. energy: 0.438
local terms energy: -55.473417
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -72.348963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.348963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.348963 (E_RNA)
where:
Base-Base interactions energy: -26.568
where: short stacking energy: -25.043
Base-Backbone interact. energy: 0.052
local terms energy: -45.832579
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -5.365
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -191.826209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.826209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.826209 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.101
local terms energy: -80.018580
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -201.054417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.054417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.054417 (E_RNA)
where:
Base-Base interactions energy: -118.648
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.270
local terms energy: -82.136808
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -175.858524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.858524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.858524 (E_RNA)
where:
Base-Base interactions energy: -113.493
where: short stacking energy: -45.120
Base-Backbone interact. energy: -0.251
local terms energy: -62.114370
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -12.252
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: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -111.581895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.581895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.581895 (E_RNA)
where:
Base-Base interactions energy: -58.150
where: short stacking energy: -37.447
Base-Backbone interact. energy: 0.072
local terms energy: -53.503966
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -4.790
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -121.404666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.404666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.404666 (E_RNA)
where:
Base-Base interactions energy: -59.779
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.084
local terms energy: -61.542155
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -88.155291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.155291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.155291 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.151
local terms energy: -56.809226
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -3.097
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: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -86.500203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.500203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.500203 (E_RNA)
where:
Base-Base interactions energy: -43.060
where: short stacking energy: -22.801
Base-Backbone interact. energy: -0.109
local terms energy: -43.330546
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -8.905
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: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -86.278707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278707 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -22.556
Base-Backbone interact. energy: -0.158
local terms energy: -46.138497
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: 3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -85.979189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.979189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.979189 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -32.590
Base-Backbone interact. energy: 0.483
local terms energy: -49.641436
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -68.806319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.806319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.806319 (E_RNA)
where:
Base-Base interactions energy: -21.154
where: short stacking energy: -18.391
Base-Backbone interact. energy: -0.802
local terms energy: -46.850286
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -200.000101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.000101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.000101 (E_RNA)
where:
Base-Base interactions energy: -122.491
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.002
local terms energy: -77.507337
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -22.800
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: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -181.727218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.727218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.727218 (E_RNA)
where:
Base-Base interactions energy: -109.099
where: short stacking energy: -55.242
Base-Backbone interact. energy: -0.252
local terms energy: -72.376020
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -121.429391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.429391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.429391 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.544
local terms energy: -68.576109
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -171.822697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.822697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.822697 (E_RNA)
where:
Base-Base interactions energy: -107.971
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.081
local terms energy: -63.770504
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -11.484
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: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -109.063744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.063744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.063744 (E_RNA)
where:
Base-Base interactions energy: -62.428
where: short stacking energy: -24.872
Base-Backbone interact. energy: -0.332
local terms energy: -46.303856
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -111.316455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316455 (E_RNA)
where:
Base-Base interactions energy: -52.596
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.134
local terms energy: -58.587110
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -86.862513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862513 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.045
local terms energy: -47.286921
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: -10.033
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: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -83.329076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.329076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.329076 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -32.002
Base-Backbone interact. energy: 0.103
local terms energy: -48.136523
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -77.593239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.593239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.593239 (E_RNA)
where:
Base-Base interactions energy: -33.923
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.176
local terms energy: -43.494390
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -92.173360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.173360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.173360 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -21.549
Base-Backbone interact. energy: -0.155
local terms energy: -51.355834
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -198.837530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.837530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.837530 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -71.427
Base-Backbone interact. energy: 0.007
local terms energy: -75.346544
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.382
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: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -178.723259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.723259 (E_RNA)
where:
Base-Base interactions energy: -110.755
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.133
local terms energy: -67.835354
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -11.932
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: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -123.091660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.091660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.091660 (E_RNA)
where:
Base-Base interactions energy: -66.567
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.266
local terms energy: -56.259115
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -6.704
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: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -158.247550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.247550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.247550 (E_RNA)
where:
Base-Base interactions energy: -91.825
where: short stacking energy: -40.644
Base-Backbone interact. energy: 0.145
local terms energy: -66.568053
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -12.599
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: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -108.919614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.919614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.919614 (E_RNA)
where:
Base-Base interactions energy: -54.168
where: short stacking energy: -17.538
Base-Backbone interact. energy: -0.257
local terms energy: -54.494434
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.335
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: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -99.774557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.774557 (E_RNA)
where:
Base-Base interactions energy: -46.783
where: short stacking energy: -30.515
Base-Backbone interact. energy: 0.401
local terms energy: -53.393081
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -94.506617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.506617 (E_RNA)
where:
Base-Base interactions energy: -52.063
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.166
local terms energy: -42.276728
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -4.782
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: 91
Temperature: 1.250000
Total energy: -85.289241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289241 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -28.533
Base-Backbone interact. energy: 0.764
local terms energy: -55.288108
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -1.656
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: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -98.143843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.143843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.143843 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -32.054
Base-Backbone interact. energy: 0.306
local terms energy: -58.709575
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -10.659
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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -69.262316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.262316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.262316 (E_RNA)
where:
Base-Base interactions energy: -28.951
where: short stacking energy: -18.542
Base-Backbone interact. energy: -0.285
local terms energy: -40.026449
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -204.321957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.321957 (E_RNA)
where:
Base-Base interactions energy: -122.320
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.346
local terms energy: -81.655967
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -186.621103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.621103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.621103 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.183
local terms energy: -70.420712
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -13.730
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: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -165.794128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.794128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.794128 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.078
local terms energy: -65.036996
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -14.455
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -129.875472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.875472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.875472 (E_RNA)
where:
Base-Base interactions energy: -71.931
where: short stacking energy: -39.012
Base-Backbone interact. energy: -0.566
local terms energy: -57.378919
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.023
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: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -102.789822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.789822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.789822 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -32.108
Base-Backbone interact. energy: -0.032
local terms energy: -56.093478
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -111.700572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.700572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.700572 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.223
local terms energy: -59.168823
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -86.847148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847148 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -21.787
Base-Backbone interact. energy: 0.863
local terms energy: -51.185366
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -86.551096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551096 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.139
local terms energy: -60.333088
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -6.944
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: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -78.180503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180503 (E_RNA)
where:
Base-Base interactions energy: -31.327
where: short stacking energy: -31.327
Base-Backbone interact. energy: 0.745
local terms energy: -47.598745
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -5.557
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: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.257411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.257411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.257411 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.322
local terms energy: -47.026001
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -200.819440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.819440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.819440 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.021
local terms energy: -77.289291
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -9.736
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: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -172.135512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.135512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.135512 (E_RNA)
where:
Base-Base interactions energy: -103.535
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.164
local terms energy: -68.436357
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -6.482
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -179.816401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.816401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.816401 (E_RNA)
where:
Base-Base interactions energy: -117.969
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.130
local terms energy: -61.717526
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -116.628228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.628228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.628228 (E_RNA)
where:
Base-Base interactions energy: -51.430
where: short stacking energy: -28.639
Base-Backbone interact. energy: -0.312
local terms energy: -64.885841
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -113.329512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.329512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.329512 (E_RNA)
where:
Base-Base interactions energy: -47.996
where: short stacking energy: -39.878
Base-Backbone interact. energy: -0.773
local terms energy: -64.560448
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -97.854654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.854654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.854654 (E_RNA)
where:
Base-Base interactions energy: -36.420
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.040
local terms energy: -61.394736
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -7.515
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: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -95.354794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354794 (E_RNA)
where:
Base-Base interactions energy: -41.955
where: short stacking energy: -31.950
Base-Backbone interact. energy: 1.093
local terms energy: -54.493600
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -90.053757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.053757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.053757 (E_RNA)
where:
Base-Base interactions energy: -38.533
where: short stacking energy: -27.889
Base-Backbone interact. energy: 0.790
local terms energy: -52.311069
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -85.302636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.302636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.302636 (E_RNA)
where:
Base-Base interactions energy: -34.113
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.186
local terms energy: -51.003205
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.859292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.859292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.859292 (E_RNA)
where:
Base-Base interactions energy: -32.817
where: short stacking energy: -32.817
Base-Backbone interact. energy: -1.018
local terms energy: -47.023771
where:
bonds (distance) C4'-P energy: -6.345
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -200.995150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.995150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.995150 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.007
local terms energy: -81.624682
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -19.891
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: 94
Temperature: 0.950000
Total energy: -168.481177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.481177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.481177 (E_RNA)
where:
Base-Base interactions energy: -103.548
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.641
local terms energy: -64.292644
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -175.310955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.310955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.310955 (E_RNA)
where:
Base-Base interactions energy: -110.364
where: short stacking energy: -38.896
Base-Backbone interact. energy: -0.943
local terms energy: -64.003661
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -9.853
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -106.815346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.815346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.815346 (E_RNA)
where:
Base-Base interactions energy: -48.756
where: short stacking energy: -48.288
Base-Backbone interact. energy: 0.459
local terms energy: -58.518719
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -106.276329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.276329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.276329 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -40.060
Base-Backbone interact. energy: -0.205
local terms energy: -64.929629
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -94.877327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.877327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.877327 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.460
local terms energy: -48.884183
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -98.332393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.332393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.332393 (E_RNA)
where:
Base-Base interactions energy: -52.795
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.225
local terms energy: -45.312758
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -4.756
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -81.880762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.880762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.880762 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -29.110
Base-Backbone interact. energy: 2.844
local terms energy: -54.294058
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -5.760
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: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -75.397961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.397961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.397961 (E_RNA)
where:
Base-Base interactions energy: -28.510
where: short stacking energy: -21.163
Base-Backbone interact. energy: -0.316
local terms energy: -46.572275
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.775
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: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.721185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.721185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.721185 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -25.408
Base-Backbone interact. energy: -0.924
local terms energy: -44.459825
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -199.698974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.698974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698974 (E_RNA)
where:
Base-Base interactions energy: -122.154
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.006
local terms energy: -77.539209
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -20.683
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -177.483159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.483159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.483159 (E_RNA)
where:
Base-Base interactions energy: -110.927
where: short stacking energy: -41.493
Base-Backbone interact. energy: -1.378
local terms energy: -65.178531
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -177.329464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.329464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.329464 (E_RNA)
where:
Base-Base interactions energy: -107.030
where: short stacking energy: -55.386
Base-Backbone interact. energy: -0.087
local terms energy: -70.212916
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -19.106
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -106.064527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.064527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.064527 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -43.215
Base-Backbone interact. energy: -0.132
local terms energy: -62.452949
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -100.094628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.094628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.094628 (E_RNA)
where:
Base-Base interactions energy: -41.410
where: short stacking energy: -36.795
Base-Backbone interact. energy: 1.453
local terms energy: -60.138187
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -104.735995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.735995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.735995 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.312
local terms energy: -60.071043
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -4.422
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: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -100.537361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.537361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.537361 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -43.027
Base-Backbone interact. energy: -0.185
local terms energy: -57.324872
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -74.838137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.838137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.838137 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -16.906
Base-Backbone interact. energy: -0.592
local terms energy: -43.311435
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: 3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -92.960653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.960653 (E_RNA)
where:
Base-Base interactions energy: -48.102
where: short stacking energy: -29.514
Base-Backbone interact. energy: 0.112
local terms energy: -44.970895
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -7.585
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -72.403352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.403352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.403352 (E_RNA)
where:
Base-Base interactions energy: -20.580
where: short stacking energy: -17.531
Base-Backbone interact. energy: -0.088
local terms energy: -51.735118
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.657
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: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -202.688180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.688180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.688180 (E_RNA)
where:
Base-Base interactions energy: -123.940
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.776
local terms energy: -77.972826
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -19.000
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -167.079453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.079453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.079453 (E_RNA)
where:
Base-Base interactions energy: -99.722
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.233
local terms energy: -67.124821
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -178.136913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.136913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.136913 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.046
local terms energy: -73.113831
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.398
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: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -107.460713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.460713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.460713 (E_RNA)
where:
Base-Base interactions energy: -45.952
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.001
local terms energy: -61.507455
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -109.578821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.578821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.578821 (E_RNA)
where:
Base-Base interactions energy: -56.698
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.251
local terms energy: -52.629804
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -4.701
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: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -85.938831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938831 (E_RNA)
where:
Base-Base interactions energy: -36.739
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.213
local terms energy: -48.987558
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.880
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -94.567588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.567588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.567588 (E_RNA)
where:
Base-Base interactions energy: -35.051
where: short stacking energy: -34.762
Base-Backbone interact. energy: -1.084
local terms energy: -58.433111
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -94.654529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.654529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.654529 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -40.500
Base-Backbone interact. energy: -0.209
local terms energy: -53.945921
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -90.392237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392237 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -21.942
Base-Backbone interact. energy: -0.060
local terms energy: -43.218530
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -9.762
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: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -81.326252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.326252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.326252 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.257
local terms energy: -42.933607
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -203.835153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835153 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.008
local terms energy: -82.426107
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -177.054554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.054554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.054554 (E_RNA)
where:
Base-Base interactions energy: -94.695
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.056
local terms energy: -82.304312
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -153.290666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.290666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.290666 (E_RNA)
where:
Base-Base interactions energy: -93.484
where: short stacking energy: -48.986
Base-Backbone interact. energy: -1.073
local terms energy: -58.732949
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -119.281227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.281227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.281227 (E_RNA)
where:
Base-Base interactions energy: -59.776
where: short stacking energy: -39.453
Base-Backbone interact. energy: 0.417
local terms energy: -59.922256
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -112.401591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.401591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.401591 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.027
local terms energy: -65.834018
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -96.017309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017309 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -34.244
Base-Backbone interact. energy: 0.290
local terms energy: -60.874289
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -92.021463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.021463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.021463 (E_RNA)
where:
Base-Base interactions energy: -45.834
where: short stacking energy: -30.040
Base-Backbone interact. energy: -1.194
local terms energy: -44.993475
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -93.568822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.568822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.568822 (E_RNA)
where:
Base-Base interactions energy: -46.057
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.050
local terms energy: -47.461476
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -96.737064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737064 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.006
local terms energy: -53.074570
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.398
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: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -75.673664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.673664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.673664 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -14.369
Base-Backbone interact. energy: -0.704
local terms energy: -44.509128
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -7.215
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -198.901006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.901006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.901006 (E_RNA)
where:
Base-Base interactions energy: -121.303
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.404
local terms energy: -77.193398
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -175.038804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.038804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.038804 (E_RNA)
where:
Base-Base interactions energy: -104.519
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.308
local terms energy: -70.211910
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -150.536189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.536189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.536189 (E_RNA)
where:
Base-Base interactions energy: -91.671
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.253
local terms energy: -58.611308
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -130.868047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.868047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.868047 (E_RNA)
where:
Base-Base interactions energy: -64.315
where: short stacking energy: -64.315
Base-Backbone interact. energy: -0.001
local terms energy: -66.552462
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -96.790087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.790087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.790087 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -36.144
Base-Backbone interact. energy: 0.756
local terms energy: -61.401919
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -106.869804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.869804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.869804 (E_RNA)
where:
Base-Base interactions energy: -48.906
where: short stacking energy: -46.555
Base-Backbone interact. energy: -0.025
local terms energy: -57.938532
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -12.074
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: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -83.193696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.193696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.193696 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.206
local terms energy: -55.497628
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -74.483870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.483870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.483870 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -23.105
Base-Backbone interact. energy: -0.081
local terms energy: -46.425003
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: 0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.956786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.956786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.956786 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.467
local terms energy: -44.958026
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -6.570
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: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -88.003079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003079 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.197
local terms energy: -55.165600
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -194.385582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.385582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.385582 (E_RNA)
where:
Base-Base interactions energy: -118.292
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.001
local terms energy: -76.093012
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -161.680675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.680675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.680675 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -47.352
Base-Backbone interact. energy: -0.182
local terms energy: -62.510313
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -9.056
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -162.343715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343715 (E_RNA)
where:
Base-Base interactions energy: -94.763
where: short stacking energy: -52.836
Base-Backbone interact. energy: -0.002
local terms energy: -67.578458
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -111.403766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.403766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.403766 (E_RNA)
where:
Base-Base interactions energy: -55.158
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.143
local terms energy: -56.102608
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -106.739067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.739067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.739067 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.306
local terms energy: -62.657514
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -103.959782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.959782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.959782 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.203
local terms energy: -62.982867
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -112.551839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.551839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.551839 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.213
local terms energy: -60.226290
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -86.203912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.203912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.203912 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -30.220
Base-Backbone interact. energy: -0.089
local terms energy: -49.445585
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -78.345303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.345303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.345303 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -29.622
Base-Backbone interact. energy: -0.575
local terms energy: -45.528322
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -8.049
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -89.251870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.251870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.251870 (E_RNA)
where:
Base-Base interactions energy: -46.712
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.043
local terms energy: -42.497189
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -197.225672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.225672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.225672 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.057
local terms energy: -80.518511
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -173.402105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.402105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.402105 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.109
local terms energy: -72.478877
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -12.116
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -185.550996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.550996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.550996 (E_RNA)
where:
Base-Base interactions energy: -119.052
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.069
local terms energy: -66.430003
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -125.576680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.576680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.576680 (E_RNA)
where:
Base-Base interactions energy: -62.410
where: short stacking energy: -30.625
Base-Backbone interact. energy: -0.499
local terms energy: -62.667537
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -8.408
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -98.222669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.222669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.222669 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.121
local terms energy: -54.356579
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -6.838
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: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -101.231199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.231199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.231199 (E_RNA)
where:
Base-Base interactions energy: -47.894
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.062
local terms energy: -53.275443
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -101.839919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.839919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.839919 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -39.579
Base-Backbone interact. energy: -0.587
local terms energy: -53.723244
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -76.810753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.810753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.810753 (E_RNA)
where:
Base-Base interactions energy: -26.397
where: short stacking energy: -26.397
Base-Backbone interact. energy: -0.162
local terms energy: -50.251562
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.738
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -82.054493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054493 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -22.551
Base-Backbone interact. energy: -0.203
local terms energy: -51.049203
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -68.630988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.630988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.630988 (E_RNA)
where:
Base-Base interactions energy: -20.574
where: short stacking energy: -20.574
Base-Backbone interact. energy: -0.987
local terms energy: -47.069691
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -205.352981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.352981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.352981 (E_RNA)
where:
Base-Base interactions energy: -122.925
where: short stacking energy: -74.497
Base-Backbone interact. energy: -0.505
local terms energy: -81.923456
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -187.576156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.576156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.576156 (E_RNA)
where:
Base-Base interactions energy: -108.603
where: short stacking energy: -56.260
Base-Backbone interact. energy: -0.134
local terms energy: -78.839217
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -17.012
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -159.644439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.644439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.644439 (E_RNA)
where:
Base-Base interactions energy: -92.739
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.268
local terms energy: -66.637024
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -141.428587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.428587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.428587 (E_RNA)
where:
Base-Base interactions energy: -68.046
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.001
local terms energy: -73.381156
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -21.794
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -115.760405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.760405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.760405 (E_RNA)
where:
Base-Base interactions energy: -51.338
where: short stacking energy: -41.503
Base-Backbone interact. energy: -0.467
local terms energy: -63.955585
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -11.625
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: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -99.973380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.973380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.973380 (E_RNA)
where:
Base-Base interactions energy: -39.245
where: short stacking energy: -35.534
Base-Backbone interact. energy: 0.296
local terms energy: -61.024760
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.099
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -102.732659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.732659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.732659 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -41.033
Base-Backbone interact. energy: -0.165
local terms energy: -55.966599
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -104.400832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.400832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.400832 (E_RNA)
where:
Base-Base interactions energy: -49.040
where: short stacking energy: -42.776
Base-Backbone interact. energy: -0.319
local terms energy: -55.042176
where:
bonds (distance) C4'-P energy: -6.876
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -8.500
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: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -73.739603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.739603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.739603 (E_RNA)
where:
Base-Base interactions energy: -25.590
where: short stacking energy: -18.778
Base-Backbone interact. energy: -0.428
local terms energy: -47.720991
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.015950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.015950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.015950 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.270
local terms energy: -48.912891
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -1.479
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: 102
Temperature: 0.900000
Total energy: -181.055903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.055903 (E_RNA)
where:
Base-Base interactions energy: -109.885
where: short stacking energy: -48.689
Base-Backbone interact. energy: -0.436
local terms energy: -70.734719
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -195.931717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.931717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.931717 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.000
local terms energy: -72.463166
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -20.089
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -163.362272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.362272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.362272 (E_RNA)
where:
Base-Base interactions energy: -98.349
where: short stacking energy: -52.855
Base-Backbone interact. energy: -0.089
local terms energy: -64.923764
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -108.694775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.694775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.694775 (E_RNA)
where:
Base-Base interactions energy: -55.524
where: short stacking energy: -40.760
Base-Backbone interact. energy: -0.170
local terms energy: -53.000037
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -94.428593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.428593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.428593 (E_RNA)
where:
Base-Base interactions energy: -34.590
where: short stacking energy: -34.853
Base-Backbone interact. energy: 0.082
local terms energy: -59.920573
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -6.791
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -88.659108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.659108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.659108 (E_RNA)
where:
Base-Base interactions energy: -36.691
where: short stacking energy: -29.808
Base-Backbone interact. energy: -0.040
local terms energy: -51.928166
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -98.867957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867957 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -32.887
Base-Backbone interact. energy: -0.029
local terms energy: -58.494710
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -8.640
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -76.724884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.724884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.724884 (E_RNA)
where:
Base-Base interactions energy: -22.921
where: short stacking energy: -21.973
Base-Backbone interact. energy: -0.192
local terms energy: -53.612559
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.099
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: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -86.333666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.333666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.333666 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -32.528
Base-Backbone interact. energy: 0.263
local terms energy: -54.069133
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -70.897357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.897357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.897357 (E_RNA)
where:
Base-Base interactions energy: -20.291
where: short stacking energy: -19.305
Base-Backbone interact. energy: -0.027
local terms energy: -50.579278
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -182.010553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.010553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.010553 (E_RNA)
where:
Base-Base interactions energy: -111.676
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.007
local terms energy: -70.327620
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -17.404
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -199.497920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.497920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.497920 (E_RNA)
where:
Base-Base interactions energy: -117.978
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.027
local terms energy: -81.492816
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -158.033202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.033202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.033202 (E_RNA)
where:
Base-Base interactions energy: -90.262
where: short stacking energy: -46.588
Base-Backbone interact. energy: -0.376
local terms energy: -67.395501
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -13.850
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: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -118.472933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.472933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.472933 (E_RNA)
where:
Base-Base interactions energy: -54.376
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.051
local terms energy: -64.045923
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -10.899
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -115.694661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.694661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.694661 (E_RNA)
where:
Base-Base interactions energy: -62.183
where: short stacking energy: -48.611
Base-Backbone interact. energy: -0.546
local terms energy: -52.965478
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -108.402459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.402459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.402459 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.088
local terms energy: -65.423083
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -94.351433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351433 (E_RNA)
where:
Base-Base interactions energy: -51.316
where: short stacking energy: -32.066
Base-Backbone interact. energy: -1.248
local terms energy: -41.788023
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -6.669
flat angles P-C4'-P energy: -4.681
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: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -93.881734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.881734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.881734 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -25.692
Base-Backbone interact. energy: -0.003
local terms energy: -56.292779
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -80.572821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.572821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.572821 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -29.608
Base-Backbone interact. energy: -1.327
local terms energy: -49.637393
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.828
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -78.624683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.624683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.624683 (E_RNA)
where:
Base-Base interactions energy: -42.115
where: short stacking energy: -20.748
Base-Backbone interact. energy: 0.791
local terms energy: -37.301165
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -7.032
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -199.296911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296911 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.444
local terms energy: -76.140144
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -20.331
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: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -177.481304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.481304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.481304 (E_RNA)
where:
Base-Base interactions energy: -113.498
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.142
local terms energy: -63.841574
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.664
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: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -159.349970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.349970 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -55.229
Base-Backbone interact. energy: 1.312
local terms energy: -59.935411
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -100.444400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444400 (E_RNA)
where:
Base-Base interactions energy: -36.808
where: short stacking energy: -26.478
Base-Backbone interact. energy: -1.691
local terms energy: -61.944726
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -112.822126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.822126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.822126 (E_RNA)
where:
Base-Base interactions energy: -55.913
where: short stacking energy: -42.740
Base-Backbone interact. energy: -0.008
local terms energy: -56.900716
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.567
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: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -94.867390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867390 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -33.182
Base-Backbone interact. energy: -0.031
local terms energy: -59.872434
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -3.405
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: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -91.892220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892220 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.578
local terms energy: -55.258724
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -82.627478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.627478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.627478 (E_RNA)
where:
Base-Base interactions energy: -27.650
where: short stacking energy: -27.650
Base-Backbone interact. energy: 0.312
local terms energy: -55.289480
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -81.175274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.175274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.175274 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -22.613
Base-Backbone interact. energy: -0.002
local terms energy: -46.600676
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -4.704
flat angles P-C4'-P energy: -8.647
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: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -82.170361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170361 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.058
local terms energy: -55.679588
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -199.636503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.636503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.636503 (E_RNA)
where:
Base-Base interactions energy: -124.356
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.683
local terms energy: -74.597731
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.352
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: 105
Temperature: 0.950000
Total energy: -177.605700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.605700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.605700 (E_RNA)
where:
Base-Base interactions energy: -106.271
where: short stacking energy: -48.201
Base-Backbone interact. energy: 0.175
local terms energy: -71.510343
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -10.528
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: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -150.300074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.300074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.300074 (E_RNA)
where:
Base-Base interactions energy: -85.861
where: short stacking energy: -45.087
Base-Backbone interact. energy: -0.062
local terms energy: -64.376691
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -10.398
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -98.637025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.637025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.637025 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.037
local terms energy: -56.841143
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -99.435613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.435613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.435613 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -25.389
Base-Backbone interact. energy: -0.123
local terms energy: -56.474238
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -95.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.930806 (E_RNA)
where:
Base-Base interactions energy: -38.683
where: short stacking energy: -37.032
Base-Backbone interact. energy: -0.009
local terms energy: -57.238723
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -9.993
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -81.995883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.995883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.995883 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.102
local terms energy: -47.516578
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 0.880
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: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -88.539189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539189 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.052
local terms energy: -54.407080
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -5.776
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: 105
Temperature: 1.300000
Total energy: -81.023905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.023905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.023905 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -27.278
Base-Backbone interact. energy: -0.141
local terms energy: -53.605441
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -75.407181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.407181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.407181 (E_RNA)
where:
Base-Base interactions energy: -25.279
where: short stacking energy: -16.252
Base-Backbone interact. energy: -0.463
local terms energy: -49.664901
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -1.421
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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -186.726244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.726244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.726244 (E_RNA)
where:
Base-Base interactions energy: -109.165
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.074
local terms energy: -77.487494
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -16.084
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: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -197.878552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.878552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.878552 (E_RNA)
where:
Base-Base interactions energy: -115.764
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.003
local terms energy: -82.111359
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -151.805196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.805196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.805196 (E_RNA)
where:
Base-Base interactions energy: -85.784
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.021
local terms energy: -66.000667
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -103.237795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.237795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.237795 (E_RNA)
where:
Base-Base interactions energy: -49.572
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.530
local terms energy: -53.135557
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -130.192983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.192983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.192983 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -46.819
Base-Backbone interact. energy: -0.103
local terms energy: -64.547245
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -88.046276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.046276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.046276 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -33.260
Base-Backbone interact. energy: 0.233
local terms energy: -51.443604
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.967
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: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -88.508717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508717 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.059
local terms energy: -53.771318
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.100
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -90.566905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.566905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.566905 (E_RNA)
where:
Base-Base interactions energy: -46.109
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.005
local terms energy: -44.452326
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -5.278
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -94.958221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958221 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -35.570
Base-Backbone interact. energy: 0.085
local terms energy: -50.076497
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -77.470319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.470319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.470319 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.098
local terms energy: -44.034886
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -2.497
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: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -178.355439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.355439 (E_RNA)
where:
Base-Base interactions energy: -106.350
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.221
local terms energy: -71.784644
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -193.520663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.520663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.520663 (E_RNA)
where:
Base-Base interactions energy: -117.163
where: short stacking energy: -62.201
Base-Backbone interact. energy: -1.089
local terms energy: -75.268891
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -8.283
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -166.590876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.590876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.590876 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.028
local terms energy: -65.865061
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.912
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -128.378807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.378807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.378807 (E_RNA)
where:
Base-Base interactions energy: -69.161
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.854
local terms energy: -58.363667
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.652
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: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -104.498748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.498748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.498748 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.004
local terms energy: -59.731492
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -86.572301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572301 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.020
local terms energy: -57.560101
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -11.199
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: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -91.358674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.358674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.358674 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -36.351
Base-Backbone interact. energy: -0.122
local terms energy: -52.680936
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.762061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.762061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.762061 (E_RNA)
where:
Base-Base interactions energy: -42.842
where: short stacking energy: -42.842
Base-Backbone interact. energy: 0.578
local terms energy: -42.498445
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.431921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431921 (E_RNA)
where:
Base-Base interactions energy: -28.767
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.197
local terms energy: -55.468851
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -11.048
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: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -82.684419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.684419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.684419 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -32.814
Base-Backbone interact. energy: -0.019
local terms energy: -49.851446
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -1.511
tors. eta vs tors. theta energy: -11.698
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: 108
Temperature: 0.900000
Total energy: -196.650743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.650743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.650743 (E_RNA)
where:
Base-Base interactions energy: -120.405
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.015
local terms energy: -76.230708
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -189.804257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.804257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.804257 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.103
local terms energy: -63.504041
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -161.521606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.521606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.521606 (E_RNA)
where:
Base-Base interactions energy: -92.826
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.712
local terms energy: -67.983311
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -122.326590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.326590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.326590 (E_RNA)
where:
Base-Base interactions energy: -69.698
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.119
local terms energy: -52.509165
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -116.257093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.257093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.257093 (E_RNA)
where:
Base-Base interactions energy: -57.836
where: short stacking energy: -38.776
Base-Backbone interact. energy: -0.991
local terms energy: -57.430334
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -102.242365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.242365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.242365 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -39.257
Base-Backbone interact. energy: -0.022
local terms energy: -57.902525
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -6.182
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: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -90.531771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531771 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.170
local terms energy: -55.187642
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -88.791102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791102 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.208
local terms energy: -54.312578
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -83.149440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.149440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.149440 (E_RNA)
where:
Base-Base interactions energy: -29.204
where: short stacking energy: -22.347
Base-Backbone interact. energy: -0.901
local terms energy: -53.045221
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: 0.550
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: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -77.340940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.340940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.340940 (E_RNA)
where:
Base-Base interactions energy: -22.163
where: short stacking energy: -19.323
Base-Backbone interact. energy: 0.278
local terms energy: -55.455423
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -8.989
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: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -198.031323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.031323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031323 (E_RNA)
where:
Base-Base interactions energy: -115.653
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.076
local terms energy: -82.301818
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -185.626530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.626530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.626530 (E_RNA)
where:
Base-Base interactions energy: -117.750
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.105
local terms energy: -67.771388
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -171.731164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.731164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.731164 (E_RNA)
where:
Base-Base interactions energy: -103.139
where: short stacking energy: -51.876
Base-Backbone interact. energy: 0.299
local terms energy: -68.891324
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -137.603730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.603730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.603730 (E_RNA)
where:
Base-Base interactions energy: -73.430
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.502
local terms energy: -63.671528
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.692
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: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -92.859659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.859659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.859659 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.640
local terms energy: -56.916119
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -97.612414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.612414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.612414 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.109
local terms energy: -61.323507
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -8.884
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: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -81.520058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520058 (E_RNA)
where:
Base-Base interactions energy: -35.171
where: short stacking energy: -33.004
Base-Backbone interact. energy: 0.780
local terms energy: -47.129239
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.396
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: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -85.507144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.507144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.507144 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -31.570
Base-Backbone interact. energy: 1.313
local terms energy: -55.172431
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.661
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: 109
Temperature: 1.300000
Total energy: -79.354705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.354705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.354705 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -29.835
Base-Backbone interact. energy: -0.127
local terms energy: -49.392758
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -76.942749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.942749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.942749 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.191
local terms energy: -42.971261
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -5.045
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -199.078616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078616 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.001
local terms energy: -78.002352
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -181.164223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.164223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.164223 (E_RNA)
where:
Base-Base interactions energy: -103.622
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.070
local terms energy: -77.471993
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -166.763647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.763647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.763647 (E_RNA)
where:
Base-Base interactions energy: -97.879
where: short stacking energy: -48.204
Base-Backbone interact. energy: 0.378
local terms energy: -69.262407
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -133.275052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.275052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.275052 (E_RNA)
where:
Base-Base interactions energy: -74.195
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.047
local terms energy: -59.032797
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -102.841671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.841671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.841671 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -29.581
Base-Backbone interact. energy: -0.439
local terms energy: -64.930434
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.371
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: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -87.646240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646240 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.121
local terms energy: -55.487042
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -6.220
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: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -88.406429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406429 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -35.059
Base-Backbone interact. energy: -0.040
local terms energy: -53.307016
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -78.690590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.690590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.690590 (E_RNA)
where:
Base-Base interactions energy: -41.813
where: short stacking energy: -24.930
Base-Backbone interact. energy: -0.243
local terms energy: -36.634276
where:
bonds (distance) C4'-P energy: -5.126
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -97.337127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337127 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -34.482
Base-Backbone interact. energy: 0.113
local terms energy: -51.877541
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -9.412
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: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -79.393935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.393935 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.155
local terms energy: -46.515659
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.381
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -197.752247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.752247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752247 (E_RNA)
where:
Base-Base interactions energy: -119.174
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.026
local terms energy: -78.551776
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -174.306924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.306924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.306924 (E_RNA)
where:
Base-Base interactions energy: -102.441
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.164
local terms energy: -71.701931
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -166.853574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.853574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.853574 (E_RNA)
where:
Base-Base interactions energy: -101.293
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.041
local terms energy: -65.519523
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -136.095350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.095350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.095350 (E_RNA)
where:
Base-Base interactions energy: -68.849
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.053
local terms energy: -67.192843
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -7.254
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: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -140.124190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.124190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.124190 (E_RNA)
where:
Base-Base interactions energy: -77.614
where: short stacking energy: -46.274
Base-Backbone interact. energy: -0.032
local terms energy: -62.478664
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -92.240598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240598 (E_RNA)
where:
Base-Base interactions energy: -42.132
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.686
local terms energy: -49.422739
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -101.207900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.207900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.207900 (E_RNA)
where:
Base-Base interactions energy: -41.718
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.310
local terms energy: -59.179462
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -10.777
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -83.619768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.619768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.619768 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -20.444
Base-Backbone interact. energy: -0.411
local terms energy: -52.253082
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -80.311048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.311048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.311048 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -23.973
Base-Backbone interact. energy: -0.119
local terms energy: -48.468309
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.176
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: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -74.561436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.561436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.561436 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -16.304
Base-Backbone interact. energy: 0.307
local terms energy: -43.684440
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -8.469
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: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -179.327820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.327820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.327820 (E_RNA)
where:
Base-Base interactions energy: -109.206
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.021
local terms energy: -70.100416
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -184.136176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.136176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.136176 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.000
local terms energy: -70.761096
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -8.184
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -175.853898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.853898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.853898 (E_RNA)
where:
Base-Base interactions energy: -106.946
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.004
local terms energy: -68.903653
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -117.394260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.394260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.394260 (E_RNA)
where:
Base-Base interactions energy: -63.199
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.501
local terms energy: -53.694522
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -7.697
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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -118.277248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.277248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.277248 (E_RNA)
where:
Base-Base interactions energy: -49.317
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.000
local terms energy: -68.960403
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.477
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: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -91.321297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.321297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.321297 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.510
local terms energy: -52.366425
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.254
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: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -98.863056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863056 (E_RNA)
where:
Base-Base interactions energy: -36.720
where: short stacking energy: -36.720
Base-Backbone interact. energy: -0.127
local terms energy: -62.016500
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.835
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: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -87.063871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.063871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.063871 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -33.124
Base-Backbone interact. energy: -0.024
local terms energy: -53.849505
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -73.085001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.085001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.085001 (E_RNA)
where:
Base-Base interactions energy: -19.278
where: short stacking energy: -18.731
Base-Backbone interact. energy: -0.248
local terms energy: -53.559105
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -72.783271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.783271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.783271 (E_RNA)
where:
Base-Base interactions energy: -20.824
where: short stacking energy: -18.977
Base-Backbone interact. energy: 0.339
local terms energy: -52.298982
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -190.278395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.278395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.278395 (E_RNA)
where:
Base-Base interactions energy: -121.435
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.100
local terms energy: -68.743702
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -169.702376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.702376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.702376 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -62.707
Base-Backbone interact. energy: 0.094
local terms energy: -74.096994
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -173.767853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.767853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.767853 (E_RNA)
where:
Base-Base interactions energy: -116.503
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.372
local terms energy: -56.893099
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: 0.508
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -121.304542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.304542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.304542 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.001
local terms energy: -64.561133
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -110.964893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.964893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.964893 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -35.175
Base-Backbone interact. energy: -1.004
local terms energy: -61.367790
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -93.716790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716790 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -39.689
Base-Backbone interact. energy: -0.971
local terms energy: -49.846524
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -8.542
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -85.301407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301407 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.160
local terms energy: -51.233141
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -85.599348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599348 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -28.241
Base-Backbone interact. energy: 0.528
local terms energy: -52.191114
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -75.626098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.626098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.626098 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.307
local terms energy: -51.292924
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -77.415351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.415351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.415351 (E_RNA)
where:
Base-Base interactions energy: -28.857
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.123
local terms energy: -48.435349
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -201.223091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.223091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.223091 (E_RNA)
where:
Base-Base interactions energy: -128.263
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.000
local terms energy: -72.959550
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -15.970
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -183.378473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.378473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.378473 (E_RNA)
where:
Base-Base interactions energy: -109.331
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.225
local terms energy: -73.822922
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -11.542
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: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -172.633888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.633888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.633888 (E_RNA)
where:
Base-Base interactions energy: -99.567
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.093
local terms energy: -72.973163
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -12.533
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: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -118.880779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.880779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.880779 (E_RNA)
where:
Base-Base interactions energy: -49.420
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.037
local terms energy: -69.423419
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -120.535337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.535337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.535337 (E_RNA)
where:
Base-Base interactions energy: -60.571
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.046
local terms energy: -59.918083
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -98.589274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.589274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.589274 (E_RNA)
where:
Base-Base interactions energy: -52.068
where: short stacking energy: -31.380
Base-Backbone interact. energy: -1.013
local terms energy: -45.507409
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -6.629
flat angles P-C4'-P energy: -7.020
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: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -86.946438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946438 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -25.127
Base-Backbone interact. energy: -0.277
local terms energy: -55.173093
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.594
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: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -89.566065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.566065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.566065 (E_RNA)
where:
Base-Base interactions energy: -48.645
where: short stacking energy: -25.998
Base-Backbone interact. energy: -0.169
local terms energy: -40.751943
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: 1.013
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: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -104.710329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.710329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.710329 (E_RNA)
where:
Base-Base interactions energy: -60.801
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.264
local terms energy: -43.645630
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -2.116
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: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -77.295628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.295628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.295628 (E_RNA)
where:
Base-Base interactions energy: -31.398
where: short stacking energy: -17.461
Base-Backbone interact. energy: 1.095
local terms energy: -46.993187
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -0.057
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -202.496831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.496831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.496831 (E_RNA)
where:
Base-Base interactions energy: -132.325
where: short stacking energy: -64.659
Base-Backbone interact. energy: 2.794
local terms energy: -72.965720
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -191.374753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.374753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.374753 (E_RNA)
where:
Base-Base interactions energy: -113.578
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.608
local terms energy: -77.188862
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -177.229924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.229924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229924 (E_RNA)
where:
Base-Base interactions energy: -107.668
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.122
local terms energy: -69.439676
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.740
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: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -107.991566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.991566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.991566 (E_RNA)
where:
Base-Base interactions energy: -44.940
where: short stacking energy: -45.440
Base-Backbone interact. energy: -0.191
local terms energy: -62.860731
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.763
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -121.465102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.465102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.465102 (E_RNA)
where:
Base-Base interactions energy: -56.281
where: short stacking energy: -41.342
Base-Backbone interact. energy: -0.102
local terms energy: -65.082382
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.404
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: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -105.133346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.133346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.133346 (E_RNA)
where:
Base-Base interactions energy: -49.166
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.046
local terms energy: -55.921357
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -100.659231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.659231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.659231 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.156
local terms energy: -62.153599
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -87.780685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780685 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -26.374
Base-Backbone interact. energy: 1.090
local terms energy: -57.466822
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -3.163
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: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -82.729746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.729746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.729746 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: 1.315
local terms energy: -51.376083
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -75.098945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.098945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.098945 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.709
local terms energy: -45.368370
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -6.484
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -203.869155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.869155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.869155 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -67.109
Base-Backbone interact. energy: 0.950
local terms energy: -77.184155
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -17.409
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -175.668952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.668952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.668952 (E_RNA)
where:
Base-Base interactions energy: -101.565
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.013
local terms energy: -74.091257
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -167.226723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.226723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.226723 (E_RNA)
where:
Base-Base interactions energy: -102.632
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.091
local terms energy: -64.503377
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -114.080327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.080327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.080327 (E_RNA)
where:
Base-Base interactions energy: -53.709
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.247
local terms energy: -60.124670
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -130.413906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.413906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.413906 (E_RNA)
where:
Base-Base interactions energy: -73.209
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.061
local terms energy: -57.144106
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -93.257103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.257103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.257103 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -38.778
Base-Backbone interact. energy: -0.119
local terms energy: -54.359495
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -6.256
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: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -96.341487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341487 (E_RNA)
where:
Base-Base interactions energy: -32.977
where: short stacking energy: -33.594
Base-Backbone interact. energy: -0.071
local terms energy: -63.293595
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -86.130960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130960 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.195
local terms energy: -52.591810
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.461946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461946 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -21.143
Base-Backbone interact. energy: -0.175
local terms energy: -45.116726
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -74.300543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.300543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.300543 (E_RNA)
where:
Base-Base interactions energy: -28.500
where: short stacking energy: -15.282
Base-Backbone interact. energy: -0.468
local terms energy: -45.332614
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -202.681601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.681601 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.046
local terms energy: -72.666616
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.096
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: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -194.902037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.902037 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.100
local terms energy: -76.874151
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -20.273
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: 117
Temperature: 1.000000
Total energy: -179.513542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513542 (E_RNA)
where:
Base-Base interactions energy: -102.477
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.425
local terms energy: -76.612154
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -130.513388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.513388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.513388 (E_RNA)
where:
Base-Base interactions energy: -68.095
where: short stacking energy: -44.330
Base-Backbone interact. energy: 0.526
local terms energy: -62.944151
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -105.671719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.671719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.671719 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.114
local terms energy: -57.969942
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -96.330674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.330674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.330674 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -40.814
Base-Backbone interact. energy: -0.531
local terms energy: -50.194488
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.984
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -100.639868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.639868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.639868 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -15.294
Base-Backbone interact. energy: 0.187
local terms energy: -57.652802
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -92.556466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.556466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.556466 (E_RNA)
where:
Base-Base interactions energy: -42.103
where: short stacking energy: -42.103
Base-Backbone interact. energy: 1.016
local terms energy: -51.470170
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.152
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: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -91.599418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.599418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.599418 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.021
local terms energy: -55.120005
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -7.906
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: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -85.385310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.385310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.385310 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.004
local terms energy: -51.464274
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -4.791
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: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -196.389241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.389241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.389241 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -67.651
Base-Backbone interact. energy: 0.332
local terms energy: -67.594949
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -187.476495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.476495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.476495 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.019
local terms energy: -70.770367
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -177.555613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.555613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.555613 (E_RNA)
where:
Base-Base interactions energy: -102.207
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.019
local terms energy: -75.329437
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.213
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: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -134.202619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.202619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.202619 (E_RNA)
where:
Base-Base interactions energy: -63.602
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.014
local terms energy: -70.587293
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -101.533076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.533076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.533076 (E_RNA)
where:
Base-Base interactions energy: -46.526
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.175
local terms energy: -54.831779
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -101.083148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.083148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.083148 (E_RNA)
where:
Base-Base interactions energy: -51.984
where: short stacking energy: -36.929
Base-Backbone interact. energy: -0.100
local terms energy: -48.999001
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -92.579092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.579092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.579092 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -32.601
Base-Backbone interact. energy: 0.570
local terms energy: -49.719603
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -88.073530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.073530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.073530 (E_RNA)
where:
Base-Base interactions energy: -33.529
where: short stacking energy: -26.012
Base-Backbone interact. energy: -0.153
local terms energy: -54.391808
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -6.992
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: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -83.979466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979466 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -31.818
Base-Backbone interact. energy: 2.490
local terms energy: -54.650778
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.084
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: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -74.438900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.438900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.438900 (E_RNA)
where:
Base-Base interactions energy: -24.554
where: short stacking energy: -24.554
Base-Backbone interact. energy: -0.095
local terms energy: -49.789898
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -199.089703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.089703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.089703 (E_RNA)
where:
Base-Base interactions energy: -125.641
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.035
local terms energy: -73.413755
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -190.944848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944848 (E_RNA)
where:
Base-Base interactions energy: -120.211
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.095
local terms energy: -70.638228
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -5.718
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: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -173.043993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043993 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.084
local terms energy: -64.969663
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -111.331667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.331667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.331667 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -35.867
Base-Backbone interact. energy: 0.124
local terms energy: -61.630364
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -5.233
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: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -105.701071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.701071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.701071 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.098
local terms energy: -61.253367
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -11.786
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: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -96.849141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.849141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.849141 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -38.069
Base-Backbone interact. energy: -0.110
local terms energy: -57.619017
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -7.978
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -105.196056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.196056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.196056 (E_RNA)
where:
Base-Base interactions energy: -60.139
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.477
local terms energy: -44.580766
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -5.839
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -101.655757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.655757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.655757 (E_RNA)
where:
Base-Base interactions energy: -51.210
where: short stacking energy: -36.965
Base-Backbone interact. energy: -0.070
local terms energy: -50.376461
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -3.130
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: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -92.932494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.932494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.932494 (E_RNA)
where:
Base-Base interactions energy: -38.725
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.077
local terms energy: -54.131070
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -70.165902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.165902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.165902 (E_RNA)
where:
Base-Base interactions energy: -32.996
where: short stacking energy: -16.779
Base-Backbone interact. energy: -0.152
local terms energy: -37.018150
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -0.839
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -208.743142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.743142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.743142 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -72.603
Base-Backbone interact. energy: 0.899
local terms energy: -75.617514
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.933
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: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -173.578128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.578128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.578128 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -57.050
Base-Backbone interact. energy: -0.004
local terms energy: -60.927200
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -13.388
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: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -171.699765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699765 (E_RNA)
where:
Base-Base interactions energy: -101.089
where: short stacking energy: -57.101
Base-Backbone interact. energy: 0.365
local terms energy: -70.975550
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -11.092
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: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -124.336076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.336076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.336076 (E_RNA)
where:
Base-Base interactions energy: -59.904
where: short stacking energy: -46.376
Base-Backbone interact. energy: -0.862
local terms energy: -63.570900
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -10.831
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: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -109.796748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.796748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.796748 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.022
local terms energy: -56.275990
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -101.542342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.542342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.542342 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -26.772
Base-Backbone interact. energy: 0.993
local terms energy: -55.998177
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -87.218409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.218409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.218409 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -32.909
Base-Backbone interact. energy: 0.446
local terms energy: -49.655176
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -11.004
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: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -81.585284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.585284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.585284 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -39.159
Base-Backbone interact. energy: -0.097
local terms energy: -42.329037
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -2.573
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: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -89.625866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.625866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.625866 (E_RNA)
where:
Base-Base interactions energy: -34.615
where: short stacking energy: -32.645
Base-Backbone interact. energy: -0.653
local terms energy: -54.357029
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.184
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: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -68.803974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.803974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.803974 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -20.682
Base-Backbone interact. energy: -0.292
local terms energy: -38.462237
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -203.964420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.964420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964420 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -63.040
Base-Backbone interact. energy: -0.012
local terms energy: -76.325344
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -14.206
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: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -181.032372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.032372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.032372 (E_RNA)
where:
Base-Base interactions energy: -107.199
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.084
local terms energy: -73.750098
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -133.671142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.671142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.671142 (E_RNA)
where:
Base-Base interactions energy: -74.926
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.720
local terms energy: -58.025501
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.642
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: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -110.535256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.535256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.535256 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.080
local terms energy: -60.126361
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -101.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.086407 (E_RNA)
where:
Base-Base interactions energy: -46.927
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.003
local terms energy: -54.156627
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -95.322156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.322156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.322156 (E_RNA)
where:
Base-Base interactions energy: -55.314
where: short stacking energy: -24.549
Base-Backbone interact. energy: 0.513
local terms energy: -40.521967
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -111.800326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.800326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.800326 (E_RNA)
where:
Base-Base interactions energy: -64.217
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.200
local terms energy: -47.383172
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -6.772
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -91.204018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204018 (E_RNA)
where:
Base-Base interactions energy: -40.186
where: short stacking energy: -17.462
Base-Backbone interact. energy: -0.358
local terms energy: -50.659965
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: 4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -78.782397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.782397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.782397 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.381
local terms energy: -43.647927
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -79.622321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.622321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.622321 (E_RNA)
where:
Base-Base interactions energy: -36.992
where: short stacking energy: -19.917
Base-Backbone interact. energy: 0.096
local terms energy: -42.726372
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: 1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -203.011146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011146 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -66.801
Base-Backbone interact. energy: 0.080
local terms energy: -74.314327
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -172.328224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.328224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.328224 (E_RNA)
where:
Base-Base interactions energy: -102.699
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.211
local terms energy: -69.418741
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -127.026035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.026035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.026035 (E_RNA)
where:
Base-Base interactions energy: -58.936
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.108
local terms energy: -67.981784
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -9.324
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -109.011386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.011386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.011386 (E_RNA)
where:
Base-Base interactions energy: -53.262
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.199
local terms energy: -55.550739
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -109.522065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522065 (E_RNA)
where:
Base-Base interactions energy: -52.228
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.001
local terms energy: -57.293102
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -115.759589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.759589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.759589 (E_RNA)
where:
Base-Base interactions energy: -56.888
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.006
local terms energy: -58.865639
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.908
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -109.691100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.691100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.691100 (E_RNA)
where:
Base-Base interactions energy: -51.124
where: short stacking energy: -36.113
Base-Backbone interact. energy: -0.133
local terms energy: -58.433774
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -100.852143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.852143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.852143 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.095
local terms energy: -63.456507
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -81.878359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878359 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -26.311
Base-Backbone interact. energy: 0.355
local terms energy: -52.800097
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.447
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.782432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.782432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.782432 (E_RNA)
where:
Base-Base interactions energy: -23.456
where: short stacking energy: -11.969
Base-Backbone interact. energy: -0.818
local terms energy: -49.507768
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: 4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -200.628504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.628504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.628504 (E_RNA)
where:
Base-Base interactions energy: -121.086
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.233
local terms energy: -79.308697
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -13.380
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: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -176.010990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.010990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.010990 (E_RNA)
where:
Base-Base interactions energy: -103.065
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.089
local terms energy: -72.856929
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -108.067478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.067478 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.135
local terms energy: -66.717749
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -11.228
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: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -105.274319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274319 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -38.688
Base-Backbone interact. energy: -0.049
local terms energy: -63.643744
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -106.097520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097520 (E_RNA)
where:
Base-Base interactions energy: -49.168
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.326
local terms energy: -56.603725
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -110.435458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.435458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.435458 (E_RNA)
where:
Base-Base interactions energy: -53.048
where: short stacking energy: -41.640
Base-Backbone interact. energy: -0.068
local terms energy: -57.318893
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -11.259
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: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -92.380460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.380460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.380460 (E_RNA)
where:
Base-Base interactions energy: -36.380
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.236
local terms energy: -55.764550
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.302
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -96.868936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.868936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.868936 (E_RNA)
where:
Base-Base interactions energy: -49.179
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.375
local terms energy: -47.314417
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -78.826544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.826544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.826544 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -20.387
Base-Backbone interact. energy: -1.435
local terms energy: -49.183443
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -78.592721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.592721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.592721 (E_RNA)
where:
Base-Base interactions energy: -38.876
where: short stacking energy: -20.989
Base-Backbone interact. energy: 0.130
local terms energy: -39.846644
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: 6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -187.152047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.152047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.152047 (E_RNA)
where:
Base-Base interactions energy: -113.401
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.043
local terms energy: -73.708036
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -8.685
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -190.381090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.381090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.381090 (E_RNA)
where:
Base-Base interactions energy: -117.597
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.052
local terms energy: -72.732032
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -133.599254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.599254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.599254 (E_RNA)
where:
Base-Base interactions energy: -62.989
where: short stacking energy: -62.989
Base-Backbone interact. energy: 1.209
local terms energy: -71.818767
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -111.810761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.810761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.810761 (E_RNA)
where:
Base-Base interactions energy: -55.063
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.145
local terms energy: -56.602274
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.641
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -99.021251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.021251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.021251 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.112
local terms energy: -64.441755
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -5.142
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: 124
Temperature: 1.150000
Total energy: -102.116738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.116738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.116738 (E_RNA)
where:
Base-Base interactions energy: -43.669
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.153
local terms energy: -58.294194
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -100.550588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.550588 (E_RNA)
where:
Base-Base interactions energy: -40.730
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.010
local terms energy: -59.810508
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -85.460204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.460204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.460204 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -39.135
Base-Backbone interact. energy: 0.998
local terms energy: -47.323613
where:
bonds (distance) C4'-P energy: -5.218
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.087
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: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -84.142047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142047 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.195
local terms energy: -49.373877
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -4.438
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: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -82.636720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636720 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -30.595
Base-Backbone interact. energy: -0.205
local terms energy: -43.789271
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.804
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: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -192.726276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.726276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.726276 (E_RNA)
where:
Base-Base interactions energy: -111.984
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.204
local terms energy: -80.538294
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -187.969470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.969470 (E_RNA)
where:
Base-Base interactions energy: -108.295
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.001
local terms energy: -79.673487
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -18.817
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -124.774884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.774884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.774884 (E_RNA)
where:
Base-Base interactions energy: -56.168
where: short stacking energy: -51.546
Base-Backbone interact. energy: -0.000
local terms energy: -68.606921
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -110.429997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.429997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.429997 (E_RNA)
where:
Base-Base interactions energy: -48.085
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.095
local terms energy: -62.249752
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -5.996
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: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -114.365386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.365386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.365386 (E_RNA)
where:
Base-Base interactions energy: -54.099
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.043
local terms energy: -60.222883
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -110.987571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.987571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.987571 (E_RNA)
where:
Base-Base interactions energy: -48.107
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.001
local terms energy: -62.879057
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -92.094781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.094781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.094781 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -36.445
Base-Backbone interact. energy: -0.256
local terms energy: -55.393337
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -4.720
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: 125
Temperature: 1.250000
Total energy: -91.649015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649015 (E_RNA)
where:
Base-Base interactions energy: -35.073
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.220
local terms energy: -56.356143
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -7.413
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: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.451375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.451375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.451375 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -41.508
Base-Backbone interact. energy: 0.293
local terms energy: -46.255761
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -6.929
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: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -85.913386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913386 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -28.652
Base-Backbone interact. energy: 2.990
local terms energy: -53.881416
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -6.135
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -7.282
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -155.489123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.489123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.489123 (E_RNA)
where:
Base-Base interactions energy: -86.177
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.034
local terms energy: -69.278736
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -12.057
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -192.978879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.978879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.978879 (E_RNA)
where:
Base-Base interactions energy: -118.157
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.310
local terms energy: -74.511721
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -121.428831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.428831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.428831 (E_RNA)
where:
Base-Base interactions energy: -59.919
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.007
local terms energy: -61.503133
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -14.174
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: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -133.240009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.240009 (E_RNA)
where:
Base-Base interactions energy: -59.616
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.000
local terms energy: -73.623880
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -108.510613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.510613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.510613 (E_RNA)
where:
Base-Base interactions energy: -51.600
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.008
local terms energy: -56.903241
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -8.982
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: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -92.031937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.031937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.031937 (E_RNA)
where:
Base-Base interactions energy: -46.264
where: short stacking energy: -26.078
Base-Backbone interact. energy: -0.017
local terms energy: -45.750705
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -88.916111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916111 (E_RNA)
where:
Base-Base interactions energy: -32.354
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.148
local terms energy: -56.414557
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -9.141
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: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -94.291604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.291604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.291604 (E_RNA)
where:
Base-Base interactions energy: -36.295
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.010
local terms energy: -57.987429
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -9.293
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: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -88.997020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997020 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.606
local terms energy: -50.745920
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -3.845
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -70.847729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.847729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.847729 (E_RNA)
where:
Base-Base interactions energy: -22.036
where: short stacking energy: -15.360
Base-Backbone interact. energy: 0.789
local terms energy: -49.601477
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -180.174936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.174936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.174936 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -59.238
Base-Backbone interact. energy: -0.024
local terms energy: -69.051006
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -180.427133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.427133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.427133 (E_RNA)
where:
Base-Base interactions energy: -107.336
where: short stacking energy: -58.802
Base-Backbone interact. energy: 1.531
local terms energy: -74.622371
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -121.416412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.416412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.416412 (E_RNA)
where:
Base-Base interactions energy: -54.484
where: short stacking energy: -41.464
Base-Backbone interact. energy: -0.520
local terms energy: -66.412102
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -9.981
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: 127
Temperature: 1.050000
Total energy: -102.695787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.695787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.695787 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -38.447
Base-Backbone interact. energy: -0.133
local terms energy: -64.116061
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -109.024367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.024367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.024367 (E_RNA)
where:
Base-Base interactions energy: -47.581
where: short stacking energy: -39.474
Base-Backbone interact. energy: -0.024
local terms energy: -61.418990
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -9.891
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -106.503019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.503019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.503019 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.051
local terms energy: -57.442524
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -6.986
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -86.795520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.795520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.795520 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -29.351
Base-Backbone interact. energy: 0.704
local terms energy: -52.008839
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -82.761737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761737 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -28.237
Base-Backbone interact. energy: 0.003
local terms energy: -48.220000
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -93.064228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.064228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.064228 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -21.814
Base-Backbone interact. energy: -0.032
local terms energy: -58.772582
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -78.322905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.322905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.322905 (E_RNA)
where:
Base-Base interactions energy: -29.246
where: short stacking energy: -28.534
Base-Backbone interact. energy: 0.017
local terms energy: -49.093006
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -4.916
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: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -184.344589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.344589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344589 (E_RNA)
where:
Base-Base interactions energy: -106.164
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.089
local terms energy: -78.091082
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.258
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: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -182.758536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.758536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.758536 (E_RNA)
where:
Base-Base interactions energy: -106.703
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.008
local terms energy: -76.046733
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -129.729452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.729452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.729452 (E_RNA)
where:
Base-Base interactions energy: -62.954
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.232
local terms energy: -66.543367
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -98.664298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.664298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.664298 (E_RNA)
where:
Base-Base interactions energy: -44.515
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.945
local terms energy: -53.204602
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -9.985
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -98.438153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.438153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.438153 (E_RNA)
where:
Base-Base interactions energy: -47.495
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.102
local terms energy: -50.841758
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -7.169
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: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -85.040931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.040931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.040931 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -31.960
Base-Backbone interact. energy: -0.088
local terms energy: -52.992938
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -4.260
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: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -89.528710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528710 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.019
local terms energy: -54.434342
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.934
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: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -82.902591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902591 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.515
local terms energy: -53.523917
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -3.457
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: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -83.527622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527622 (E_RNA)
where:
Base-Base interactions energy: -33.798
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.712
local terms energy: -49.017974
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -70.825544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.825544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.825544 (E_RNA)
where:
Base-Base interactions energy: -27.625
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.510
local terms energy: -42.689774
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: 3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -195.404959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.404959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.404959 (E_RNA)
where:
Base-Base interactions energy: -119.602
where: short stacking energy: -69.467
Base-Backbone interact. energy: -0.069
local terms energy: -75.734217
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -180.099289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.099289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.099289 (E_RNA)
where:
Base-Base interactions energy: -109.074
where: short stacking energy: -51.504
Base-Backbone interact. energy: -0.055
local terms energy: -70.969464
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -150.783522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.783522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.783522 (E_RNA)
where:
Base-Base interactions energy: -89.246
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.021
local terms energy: -61.516506
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -14.673
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: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -115.210946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.210946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.210946 (E_RNA)
where:
Base-Base interactions energy: -50.861
where: short stacking energy: -49.623
Base-Backbone interact. energy: 0.427
local terms energy: -64.776971
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -108.860673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.860673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.860673 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.217
local terms energy: -50.680269
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -92.383025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383025 (E_RNA)
where:
Base-Base interactions energy: -40.171
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.218
local terms energy: -51.993731
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -12.223
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -94.248679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248679 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.028
local terms energy: -58.953640
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.580
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: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -79.577918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.577918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.577918 (E_RNA)
where:
Base-Base interactions energy: -26.498
where: short stacking energy: -21.293
Base-Backbone interact. energy: -0.013
local terms energy: -53.066571
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -79.683537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.683537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.683537 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.128
local terms energy: -44.171019
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -78.275563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275563 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.690
local terms energy: -51.864753
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -188.439645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.439645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.439645 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.556
local terms energy: -71.052292
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -19.100
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: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -203.525755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525755 (E_RNA)
where:
Base-Base interactions energy: -127.537
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.286
local terms energy: -75.703079
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -20.245
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: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -111.247228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.247228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.247228 (E_RNA)
where:
Base-Base interactions energy: -54.891
where: short stacking energy: -35.779
Base-Backbone interact. energy: -1.070
local terms energy: -55.287036
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.026
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: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -130.631563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.631563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.631563 (E_RNA)
where:
Base-Base interactions energy: -72.153
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.142
local terms energy: -58.336569
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -8.433
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: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -108.527043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.527043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.527043 (E_RNA)
where:
Base-Base interactions energy: -41.791
where: short stacking energy: -41.791
Base-Backbone interact. energy: -0.050
local terms energy: -66.686218
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -11.176
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -92.388144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.388144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.388144 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -36.906
Base-Backbone interact. energy: -0.001
local terms energy: -53.608772
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -98.092138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.092138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.092138 (E_RNA)
where:
Base-Base interactions energy: -47.955
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.204
local terms energy: -49.933033
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -98.496826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.496826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.496826 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -34.062
Base-Backbone interact. energy: -0.171
local terms energy: -61.411019
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -7.714
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: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -80.096917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096917 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.147
local terms energy: -54.936473
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -80.705222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705222 (E_RNA)
where:
Base-Base interactions energy: -30.801
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.210
local terms energy: -49.694153
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -184.750626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.750626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.750626 (E_RNA)
where:
Base-Base interactions energy: -108.204
where: short stacking energy: -56.741
Base-Backbone interact. energy: 0.177
local terms energy: -76.723917
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -10.325
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: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -194.232582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.232582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.232582 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -66.983
Base-Backbone interact. energy: -0.483
local terms energy: -81.857149
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -132.220588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.220588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.220588 (E_RNA)
where:
Base-Base interactions energy: -69.870
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.028
local terms energy: -62.322176
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -11.231
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -127.041311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.041311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.041311 (E_RNA)
where:
Base-Base interactions energy: -66.643
where: short stacking energy: -31.776
Base-Backbone interact. energy: 0.073
local terms energy: -60.471067
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -90.561295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.561295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.561295 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.066
local terms energy: -58.122243
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -6.192
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -94.992896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.992896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.992896 (E_RNA)
where:
Base-Base interactions energy: -39.320
where: short stacking energy: -38.005
Base-Backbone interact. energy: -0.056
local terms energy: -55.616678
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -5.529
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -103.578173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.578173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.578173 (E_RNA)
where:
Base-Base interactions energy: -45.617
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.389
local terms energy: -57.571935
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -5.590
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: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -91.795755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795755 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -19.994
Base-Backbone interact. energy: -0.260
local terms energy: -52.750243
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -77.737222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737222 (E_RNA)
where:
Base-Base interactions energy: -25.279
where: short stacking energy: -19.536
Base-Backbone interact. energy: 0.456
local terms energy: -52.913842
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.874
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -80.080831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.080831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.080831 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.710
local terms energy: -43.723834
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.738
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: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -193.535513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.535513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.535513 (E_RNA)
where:
Base-Base interactions energy: -130.313
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.058
local terms energy: -63.164580
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -187.629419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.629419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.629419 (E_RNA)
where:
Base-Base interactions energy: -112.188
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.379
local terms energy: -75.062602
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.408
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: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -123.459635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.459635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.459635 (E_RNA)
where:
Base-Base interactions energy: -67.844
where: short stacking energy: -48.353
Base-Backbone interact. energy: 0.363
local terms energy: -55.979152
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -111.472349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.472349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.472349 (E_RNA)
where:
Base-Base interactions energy: -43.687
where: short stacking energy: -41.985
Base-Backbone interact. energy: 0.924
local terms energy: -68.709138
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -105.360929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.360929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.360929 (E_RNA)
where:
Base-Base interactions energy: -45.276
where: short stacking energy: -31.986
Base-Backbone interact. energy: -0.000
local terms energy: -60.084987
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -91.181712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181712 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.595
local terms energy: -52.544875
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -92.926266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.926266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.926266 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.111
local terms energy: -55.076885
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -84.220005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220005 (E_RNA)
where:
Base-Base interactions energy: -33.484
where: short stacking energy: -26.369
Base-Backbone interact. energy: -0.139
local terms energy: -50.596767
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -1.167
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: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -90.852015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.852015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.852015 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.107
local terms energy: -52.865050
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -8.757
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.942330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.942330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.942330 (E_RNA)
where:
Base-Base interactions energy: -26.524
where: short stacking energy: -19.326
Base-Backbone interact. energy: -0.051
local terms energy: -50.367415
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -185.791801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.791801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.791801 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.672
local terms energy: -80.550024
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -170.835981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.835981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.835981 (E_RNA)
where:
Base-Base interactions energy: -92.040
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.056
local terms energy: -78.739640
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -122.502560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.502560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.502560 (E_RNA)
where:
Base-Base interactions energy: -58.729
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.030
local terms energy: -63.743330
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -13.079
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: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -118.808329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.808329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.808329 (E_RNA)
where:
Base-Base interactions energy: -52.765
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.079
local terms energy: -65.963546
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -100.739053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.739053 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.087
local terms energy: -58.102877
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -10.937
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: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -96.651587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.651587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.651587 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -35.344
Base-Backbone interact. energy: -0.095
local terms energy: -61.212513
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -86.801507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801507 (E_RNA)
where:
Base-Base interactions energy: -29.096
where: short stacking energy: -22.021
Base-Backbone interact. energy: -0.370
local terms energy: -57.335591
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -83.346368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346368 (E_RNA)
where:
Base-Base interactions energy: -24.401
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.135
local terms energy: -58.811078
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -73.898370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.898370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.898370 (E_RNA)
where:
Base-Base interactions energy: -25.073
where: short stacking energy: -20.580
Base-Backbone interact. energy: -0.577
local terms energy: -48.248358
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -72.352227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.352227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.352227 (E_RNA)
where:
Base-Base interactions energy: -26.289
where: short stacking energy: -21.481
Base-Backbone interact. energy: -0.424
local terms energy: -45.639248
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -180.900134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.900134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.900134 (E_RNA)
where:
Base-Base interactions energy: -110.224
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.012
local terms energy: -70.664018
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -185.408320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.408320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.408320 (E_RNA)
where:
Base-Base interactions energy: -111.070
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.030
local terms energy: -74.307935
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -121.348849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.348849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.348849 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -40.313
Base-Backbone interact. energy: -0.451
local terms energy: -58.629631
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -119.556739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.556739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.556739 (E_RNA)
where:
Base-Base interactions energy: -56.547
where: short stacking energy: -38.332
Base-Backbone interact. energy: -0.129
local terms energy: -62.880794
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -9.286
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: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -104.324869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.324869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.324869 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.087
local terms energy: -58.574998
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -99.211766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.211766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.211766 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.326
local terms energy: -54.954682
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -85.347459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.347459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.347459 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.146
local terms energy: -54.516445
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -87.988971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988971 (E_RNA)
where:
Base-Base interactions energy: -34.018
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.242
local terms energy: -53.729161
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -77.375068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.375068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.375068 (E_RNA)
where:
Base-Base interactions energy: -24.521
where: short stacking energy: -24.521
Base-Backbone interact. energy: -0.137
local terms energy: -52.717572
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -77.638819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.638819 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -27.621
Base-Backbone interact. energy: 0.535
local terms energy: -46.475580
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -8.775
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -188.988266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988266 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.505
local terms energy: -72.597704
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.313
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: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -145.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.224669 (E_RNA)
where:
Base-Base interactions energy: -71.884
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.050
local terms energy: -73.290597
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -179.046375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.046375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.046375 (E_RNA)
where:
Base-Base interactions energy: -113.720
where: short stacking energy: -64.785
Base-Backbone interact. energy: 4.381
local terms energy: -69.707324
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -118.654975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.654975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.654975 (E_RNA)
where:
Base-Base interactions energy: -64.284
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.833
local terms energy: -53.538075
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.362
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: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -104.600042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600042 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.144
local terms energy: -63.537564
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.570
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: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -95.287851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287851 (E_RNA)
where:
Base-Base interactions energy: -38.162
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.642
local terms energy: -56.483937
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -88.632004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632004 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.174
local terms energy: -53.637572
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -2.468
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: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -86.442334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442334 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.246
local terms energy: -50.910790
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -5.208
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -79.811211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.811211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.811211 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -24.788
Base-Backbone interact. energy: -0.214
local terms energy: -46.036598
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -4.834
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: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -76.057798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.057798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.057798 (E_RNA)
where:
Base-Base interactions energy: -23.274
where: short stacking energy: -23.274
Base-Backbone interact. energy: 2.011
local terms energy: -54.795311
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -8.219
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: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -185.698771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.698771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.698771 (E_RNA)
where:
Base-Base interactions energy: -110.769
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.699
local terms energy: -74.230954
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -127.450599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.450599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.450599 (E_RNA)
where:
Base-Base interactions energy: -58.873
where: short stacking energy: -58.695
Base-Backbone interact. energy: -0.043
local terms energy: -68.534724
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -185.743870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743870 (E_RNA)
where:
Base-Base interactions energy: -110.138
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.038
local terms energy: -75.568353
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -17.838
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -105.930117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.930117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.930117 (E_RNA)
where:
Base-Base interactions energy: -56.731
where: short stacking energy: -37.094
Base-Backbone interact. energy: 0.398
local terms energy: -49.596743
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -108.383564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.383564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.383564 (E_RNA)
where:
Base-Base interactions energy: -53.403
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.049
local terms energy: -54.930693
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -107.660003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.660003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.660003 (E_RNA)
where:
Base-Base interactions energy: -51.942
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.071
local terms energy: -55.647010
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -95.510335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510335 (E_RNA)
where:
Base-Base interactions energy: -54.562
where: short stacking energy: -27.834
Base-Backbone interact. energy: 4.163
local terms energy: -45.111449
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: 0.314
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -98.966585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.966585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.966585 (E_RNA)
where:
Base-Base interactions energy: -41.112
where: short stacking energy: -33.299
Base-Backbone interact. energy: 0.082
local terms energy: -57.936748
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -11.406
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: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -82.136059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136059 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.918
local terms energy: -48.037902
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -4.383
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: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -80.912052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.912052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.912052 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.077
local terms energy: -53.179320
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -191.236848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.236848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236848 (E_RNA)
where:
Base-Base interactions energy: -118.860
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.127
local terms energy: -72.249839
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -6.482
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -197.084956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.084956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.084956 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.007
local terms energy: -76.697899
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -113.408206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.408206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.408206 (E_RNA)
where:
Base-Base interactions energy: -51.574
where: short stacking energy: -48.919
Base-Backbone interact. energy: -0.107
local terms energy: -61.727759
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -9.922
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: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -109.777518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.777518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.777518 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -49.238
Base-Backbone interact. energy: 1.183
local terms energy: -60.727362
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -110.178700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.178700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.178700 (E_RNA)
where:
Base-Base interactions energy: -49.975
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.002
local terms energy: -60.201118
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.431
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: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -96.861256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.861256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.861256 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.024
local terms energy: -56.708037
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -9.070
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: 137
Temperature: 1.200000
Total energy: -105.371974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.371974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.371974 (E_RNA)
where:
Base-Base interactions energy: -55.085
where: short stacking energy: -37.673
Base-Backbone interact. energy: -0.566
local terms energy: -49.720699
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -6.089
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: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -89.334707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.334707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.334707 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.132
local terms energy: -53.945630
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -87.397953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397953 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.021
local terms energy: -50.925017
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -74.598837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.598837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.598837 (E_RNA)
where:
Base-Base interactions energy: -27.087
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.095
local terms energy: -47.416867
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -10.922
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -193.735180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735180 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.253
local terms energy: -75.178680
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -188.263760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.263760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.263760 (E_RNA)
where:
Base-Base interactions energy: -117.097
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.485
local terms energy: -70.681861
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -132.839233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.839233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.839233 (E_RNA)
where:
Base-Base interactions energy: -63.110
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.001
local terms energy: -69.728736
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -112.336393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.336393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.336393 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.494
local terms energy: -61.856933
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -8.621
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: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -98.373609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.373609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.373609 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.125
local terms energy: -52.166248
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -97.266235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.266235 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.016
local terms energy: -53.893140
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -86.528204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.528204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.528204 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -26.816
Base-Backbone interact. energy: -0.020
local terms energy: -48.815170
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -83.958914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.958914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.958914 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -26.810
Base-Backbone interact. energy: 0.704
local terms energy: -56.813421
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -86.407227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.407227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.407227 (E_RNA)
where:
Base-Base interactions energy: -39.878
where: short stacking energy: -24.273
Base-Backbone interact. energy: -0.499
local terms energy: -46.029612
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -80.336663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.336663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.336663 (E_RNA)
where:
Base-Base interactions energy: -37.149
where: short stacking energy: -37.149
Base-Backbone interact. energy: 2.515
local terms energy: -45.702920
where:
bonds (distance) C4'-P energy: -4.058
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -8.479
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -196.956715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.956715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.956715 (E_RNA)
where:
Base-Base interactions energy: -121.029
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.003
local terms energy: -75.924534
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -11.944
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: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -177.377655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377655 (E_RNA)
where:
Base-Base interactions energy: -101.395
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.068
local terms energy: -75.914806
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -12.438
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: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -126.233547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.233547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.233547 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.212
local terms energy: -66.196029
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -114.486798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.486798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.486798 (E_RNA)
where:
Base-Base interactions energy: -53.664
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.196
local terms energy: -60.626811
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.234
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: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -94.300745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.300745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.300745 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -26.990
Base-Backbone interact. energy: -0.486
local terms energy: -56.012189
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -94.905059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905059 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -35.795
Base-Backbone interact. energy: -0.135
local terms energy: -58.974840
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -9.059
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: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -93.894728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.894728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.894728 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.122
local terms energy: -55.143621
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -10.191
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.996373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996373 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -25.189
Base-Backbone interact. energy: 1.539
local terms energy: -55.247761
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -84.106515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.106515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.106515 (E_RNA)
where:
Base-Base interactions energy: -26.384
where: short stacking energy: -26.384
Base-Backbone interact. energy: -0.020
local terms energy: -57.701985
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -4.436
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: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -88.988045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988045 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -37.387
Base-Backbone interact. energy: -0.071
local terms energy: -51.529567
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -8.679
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: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -203.284892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284892 (E_RNA)
where:
Base-Base interactions energy: -125.424
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.545
local terms energy: -77.315804
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.732
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: 140
Temperature: 0.950000
Total energy: -157.623345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.623345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.623345 (E_RNA)
where:
Base-Base interactions energy: -92.636
where: short stacking energy: -48.347
Base-Backbone interact. energy: -0.984
local terms energy: -64.003330
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.897
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: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -120.203797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.203797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.203797 (E_RNA)
where:
Base-Base interactions energy: -59.335
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.411
local terms energy: -60.457973
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -116.960334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.960334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.960334 (E_RNA)
where:
Base-Base interactions energy: -56.057
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.574
local terms energy: -60.330022
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -111.236445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.236445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.236445 (E_RNA)
where:
Base-Base interactions energy: -53.454
where: short stacking energy: -41.222
Base-Backbone interact. energy: 0.616
local terms energy: -58.398174
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -89.449336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449336 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.089
local terms energy: -52.578688
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -91.344513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.344513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.344513 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -32.651
Base-Backbone interact. energy: -0.118
local terms energy: -52.623455
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.223
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -78.177278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177278 (E_RNA)
where:
Base-Base interactions energy: -26.801
where: short stacking energy: -23.236
Base-Backbone interact. energy: -0.030
local terms energy: -51.346294
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -81.644609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644609 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -15.803
Base-Backbone interact. energy: -0.779
local terms energy: -43.629477
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -77.902746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.902746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.902746 (E_RNA)
where:
Base-Base interactions energy: -23.690
where: short stacking energy: -23.170
Base-Backbone interact. energy: -0.180
local terms energy: -54.032869
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -203.310180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.310180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.310180 (E_RNA)
where:
Base-Base interactions energy: -120.887
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.021
local terms energy: -82.402191
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -167.420401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.420401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.420401 (E_RNA)
where:
Base-Base interactions energy: -99.955
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.416
local terms energy: -67.049081
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -115.623354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.623354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.623354 (E_RNA)
where:
Base-Base interactions energy: -53.623
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.057
local terms energy: -61.943099
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -135.065849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.065849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.065849 (E_RNA)
where:
Base-Base interactions energy: -71.070
where: short stacking energy: -40.255
Base-Backbone interact. energy: -0.230
local terms energy: -63.766039
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -13.634
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: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -105.084601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.084601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.084601 (E_RNA)
where:
Base-Base interactions energy: -49.842
where: short stacking energy: -36.689
Base-Backbone interact. energy: -0.145
local terms energy: -55.098380
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.549
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: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -91.096797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.096797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.096797 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -27.876
Base-Backbone interact. energy: -1.373
local terms energy: -50.074179
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -0.253
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -86.859474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.859474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.859474 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -35.630
Base-Backbone interact. energy: -0.784
local terms energy: -50.444999
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -0.528
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -87.674822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674822 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -33.669
Base-Backbone interact. energy: 0.353
local terms energy: -54.358635
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -79.235758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235758 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -23.073
Base-Backbone interact. energy: -0.062
local terms energy: -51.434741
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -3.845
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -91.575658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.575658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.575658 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -37.763
Base-Backbone interact. energy: -0.121
local terms energy: -53.692007
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -192.828864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.828864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.828864 (E_RNA)
where:
Base-Base interactions energy: -120.186
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.172
local terms energy: -72.470825
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -170.988197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.988197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.988197 (E_RNA)
where:
Base-Base interactions energy: -99.252
where: short stacking energy: -46.743
Base-Backbone interact. energy: -1.000
local terms energy: -70.736651
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -159.458475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.458475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.458475 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -43.851
Base-Backbone interact. energy: -0.076
local terms energy: -62.700510
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.908
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: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -113.240612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.240612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.240612 (E_RNA)
where:
Base-Base interactions energy: -52.998
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.044
local terms energy: -60.198984
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -99.985775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985775 (E_RNA)
where:
Base-Base interactions energy: -44.037
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.267
local terms energy: -55.681418
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -105.392392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.392392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.392392 (E_RNA)
where:
Base-Base interactions energy: -45.221
where: short stacking energy: -37.614
Base-Backbone interact. energy: 0.264
local terms energy: -60.435639
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.269
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: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -90.103602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103602 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.650
Base-Backbone interact. energy: 0.158
local terms energy: -53.519563
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -2.920
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: 142
Temperature: 1.250000
Total energy: -91.514629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.514629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.514629 (E_RNA)
where:
Base-Base interactions energy: -54.019
where: short stacking energy: -28.388
Base-Backbone interact. energy: 0.749
local terms energy: -38.244649
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -0.895
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: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -81.315407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.315407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.315407 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.030
local terms energy: -46.744383
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -75.882134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.882134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.882134 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.197
local terms energy: -47.268551
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -200.501662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.501662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.501662 (E_RNA)
where:
Base-Base interactions energy: -118.665
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.019
local terms energy: -81.817722
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -22.121
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: 143
Temperature: 0.950000
Total energy: -173.369874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.369874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.369874 (E_RNA)
where:
Base-Base interactions energy: -103.677
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.510
local terms energy: -69.182343
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -10.007
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: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -180.269450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.269450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.269450 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -64.500
Base-Backbone interact. energy: 2.068
local terms energy: -70.749537
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.131
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -117.347524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.347524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.347524 (E_RNA)
where:
Base-Base interactions energy: -51.713
where: short stacking energy: -41.058
Base-Backbone interact. energy: -0.017
local terms energy: -65.617545
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -114.508218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.508218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.508218 (E_RNA)
where:
Base-Base interactions energy: -53.052
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.233
local terms energy: -61.223484
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -8.975
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: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -94.463078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463078 (E_RNA)
where:
Base-Base interactions energy: -37.369
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.055
local terms energy: -57.039080
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -83.795361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.795361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.795361 (E_RNA)
where:
Base-Base interactions energy: -26.502
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.271
local terms energy: -57.022950
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -96.214129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.214129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.214129 (E_RNA)
where:
Base-Base interactions energy: -37.593
where: short stacking energy: -27.866
Base-Backbone interact. energy: -0.001
local terms energy: -58.620844
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -74.164774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164774 (E_RNA)
where:
Base-Base interactions energy: -24.606
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.064
local terms energy: -49.495416
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -6.710
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -79.783846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.783846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.783846 (E_RNA)
where:
Base-Base interactions energy: -25.174
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.002
local terms energy: -54.607905
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.576
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: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -171.962702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.962702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.962702 (E_RNA)
where:
Base-Base interactions energy: -109.277
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.563
local terms energy: -62.122868
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -189.706870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706870 (E_RNA)
where:
Base-Base interactions energy: -113.154
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.007
local terms energy: -76.545369
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -19.717
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: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -184.934361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.934361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.934361 (E_RNA)
where:
Base-Base interactions energy: -105.649
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.464
local terms energy: -78.821803
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -114.859942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.859942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.859942 (E_RNA)
where:
Base-Base interactions energy: -48.809
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.041
local terms energy: -66.010048
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -13.730
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -141.081040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.081040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.081040 (E_RNA)
where:
Base-Base interactions energy: -80.834
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.578
local terms energy: -59.668808
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -93.644278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.644278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.644278 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -32.265
Base-Backbone interact. energy: 1.316
local terms energy: -62.695596
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -96.242960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.242960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.242960 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -24.464
Base-Backbone interact. energy: -0.429
local terms energy: -57.218904
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -87.534511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.534511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.534511 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.117
local terms energy: -52.312958
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -91.265208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265208 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.065
local terms energy: -58.155030
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.301429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.301429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.301429 (E_RNA)
where:
Base-Base interactions energy: -29.135
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.110
local terms energy: -47.056644
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -5.678
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: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -158.338128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.338128 (E_RNA)
where:
Base-Base interactions energy: -90.965
where: short stacking energy: -49.965
Base-Backbone interact. energy: -0.083
local terms energy: -67.290469
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -186.819304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.819304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.819304 (E_RNA)
where:
Base-Base interactions energy: -112.440
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.038
local terms energy: -74.341111
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -175.160514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.160514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.160514 (E_RNA)
where:
Base-Base interactions energy: -113.538
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.076
local terms energy: -61.545829
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -111.824849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.824849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.824849 (E_RNA)
where:
Base-Base interactions energy: -59.057
where: short stacking energy: -35.135
Base-Backbone interact. energy: -0.201
local terms energy: -52.566310
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -105.204784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.204784 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -42.770
Base-Backbone interact. energy: -0.040
local terms energy: -62.395115
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -105.093330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.093330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.093330 (E_RNA)
where:
Base-Base interactions energy: -51.294
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.113
local terms energy: -53.686093
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -10.297
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: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -86.094896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.094896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.094896 (E_RNA)
where:
Base-Base interactions energy: -29.329
where: short stacking energy: -29.329
Base-Backbone interact. energy: -0.069
local terms energy: -56.697636
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -84.782362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782362 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.668
local terms energy: -50.827651
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -81.784495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784495 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.046
local terms energy: -49.237548
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -75.767798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.767798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.767798 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -32.551
Base-Backbone interact. energy: 0.519
local terms energy: -36.482582
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -6.035
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -194.888416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.888416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.888416 (E_RNA)
where:
Base-Base interactions energy: -118.610
where: short stacking energy: -69.578
Base-Backbone interact. energy: -0.000
local terms energy: -76.278451
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -167.306725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.306725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306725 (E_RNA)
where:
Base-Base interactions energy: -102.585
where: short stacking energy: -46.484
Base-Backbone interact. energy: -0.130
local terms energy: -64.590957
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -164.701233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701233 (E_RNA)
where:
Base-Base interactions energy: -98.720
where: short stacking energy: -44.363
Base-Backbone interact. energy: 0.315
local terms energy: -66.295504
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.579
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: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -129.520268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.520268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.520268 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -45.133
Base-Backbone interact. energy: -0.771
local terms energy: -62.497876
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -12.801
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -102.868473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.868473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.868473 (E_RNA)
where:
Base-Base interactions energy: -51.229
where: short stacking energy: -43.969
Base-Backbone interact. energy: -0.938
local terms energy: -50.701718
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -6.398
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -95.624788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.624788 (E_RNA)
where:
Base-Base interactions energy: -39.890
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.380
local terms energy: -55.354925
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.101
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: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -87.779943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.779943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.779943 (E_RNA)
where:
Base-Base interactions energy: -36.757
where: short stacking energy: -27.247
Base-Backbone interact. energy: -1.138
local terms energy: -49.885755
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -6.450
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -88.332823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332823 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.282
local terms energy: -43.000112
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -74.599230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.599230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.599230 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -25.339
Base-Backbone interact. energy: -0.169
local terms energy: -43.116426
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -80.136305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.136305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.136305 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -19.353
Base-Backbone interact. energy: -0.059
local terms energy: -46.653657
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.704
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -192.517649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.517649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.517649 (E_RNA)
where:
Base-Base interactions energy: -121.026
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.034
local terms energy: -71.457260
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.062
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -164.257751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.257751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.257751 (E_RNA)
where:
Base-Base interactions energy: -98.015
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.094
local terms energy: -66.148492
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -163.897519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.897519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.897519 (E_RNA)
where:
Base-Base interactions energy: -94.372
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.110
local terms energy: -69.414965
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -128.811735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.811735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.811735 (E_RNA)
where:
Base-Base interactions energy: -72.999
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.649
local terms energy: -55.164467
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -2.713
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: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -118.713792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.713792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.713792 (E_RNA)
where:
Base-Base interactions energy: -53.935
where: short stacking energy: -50.504
Base-Backbone interact. energy: -0.300
local terms energy: -64.478663
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.229
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -95.443756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.443756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.443756 (E_RNA)
where:
Base-Base interactions energy: -41.734
where: short stacking energy: -23.106
Base-Backbone interact. energy: -0.907
local terms energy: -52.802251
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.027
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: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -87.591737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591737 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.753
local terms energy: -40.046596
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -1.331
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -91.751955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751955 (E_RNA)
where:
Base-Base interactions energy: -44.472
where: short stacking energy: -31.118
Base-Backbone interact. energy: -0.677
local terms energy: -46.603066
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -89.351509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.351509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.351509 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.070
local terms energy: -54.266841
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -6.742
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -88.461111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.461111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.461111 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.055
local terms energy: -57.930776
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -6.986
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -197.849117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.849117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.849117 (E_RNA)
where:
Base-Base interactions energy: -125.270
where: short stacking energy: -71.568
Base-Backbone interact. energy: 1.211
local terms energy: -73.790750
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -165.062248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.062248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.062248 (E_RNA)
where:
Base-Base interactions energy: -100.943
where: short stacking energy: -51.946
Base-Backbone interact. energy: -0.434
local terms energy: -63.685363
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -143.831954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.831954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.831954 (E_RNA)
where:
Base-Base interactions energy: -86.731
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.941
local terms energy: -56.159759
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -129.591781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.591781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.591781 (E_RNA)
where:
Base-Base interactions energy: -63.427
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.001
local terms energy: -66.163985
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -104.698630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.698630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.698630 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.606
local terms energy: -50.046093
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -102.279468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.279468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.279468 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -34.698
Base-Backbone interact. energy: 0.165
local terms energy: -61.272267
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -10.369
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -118.111620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.111620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.111620 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.096
local terms energy: -66.059877
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -83.760752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760752 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.156
local terms energy: -55.374997
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -76.916892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.916892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.916892 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.089
local terms energy: -48.904646
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -4.388
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: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -82.921002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921002 (E_RNA)
where:
Base-Base interactions energy: -31.863
where: short stacking energy: -31.736
Base-Backbone interact. energy: -0.242
local terms energy: -50.815612
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -6.164
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: 149
Temperature: 0.900000
Total energy: -192.436344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.436344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.436344 (E_RNA)
where:
Base-Base interactions energy: -116.304
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.070
local terms energy: -76.061896
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -181.727564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.727564 (E_RNA)
where:
Base-Base interactions energy: -104.503
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.480
local terms energy: -76.744267
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -159.357918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.357918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.357918 (E_RNA)
where:
Base-Base interactions energy: -95.966
where: short stacking energy: -51.360
Base-Backbone interact. energy: -0.956
local terms energy: -62.435607
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.809
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: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -137.075100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.075100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.075100 (E_RNA)
where:
Base-Base interactions energy: -64.872
where: short stacking energy: -56.478
Base-Backbone interact. energy: -0.094
local terms energy: -72.108917
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -107.176264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.176264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.176264 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -42.432
Base-Backbone interact. energy: -0.093
local terms energy: -64.651253
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -94.648647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.648647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.648647 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -37.982
Base-Backbone interact. energy: -0.587
local terms energy: -56.079496
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -82.291818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.291818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.291818 (E_RNA)
where:
Base-Base interactions energy: -30.253
where: short stacking energy: -29.543
Base-Backbone interact. energy: -0.540
local terms energy: -51.499116
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -88.493517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.493517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.493517 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -28.528
Base-Backbone interact. energy: -0.006
local terms energy: -49.295117
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -76.642955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642955 (E_RNA)
where:
Base-Base interactions energy: -27.094
where: short stacking energy: -20.752
Base-Backbone interact. energy: 0.452
local terms energy: -50.000222
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -75.637170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.637170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.637170 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.185
local terms energy: -44.242828
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -199.367445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.367445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.367445 (E_RNA)
where:
Base-Base interactions energy: -123.847
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.662
local terms energy: -74.858218
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.075
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -193.614997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.614997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.614997 (E_RNA)
where:
Base-Base interactions energy: -121.836
where: short stacking energy: -64.337
Base-Backbone interact. energy: -0.001
local terms energy: -71.777879
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.661
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: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -145.837117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.837117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.837117 (E_RNA)
where:
Base-Base interactions energy: -84.278
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.952
local terms energy: -60.606844
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -107.528003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.528003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.528003 (E_RNA)
where:
Base-Base interactions energy: -48.033
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.082
local terms energy: -59.413043
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -9.269
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: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -97.266067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.266067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.266067 (E_RNA)
where:
Base-Base interactions energy: -37.859
where: short stacking energy: -37.859
Base-Backbone interact. energy: -0.207
local terms energy: -59.200370
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -97.219131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219131 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.042
local terms energy: -61.723643
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -90.185353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185353 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -32.555
Base-Backbone interact. energy: 1.421
local terms energy: -50.294666
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -86.935200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935200 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -35.650
Base-Backbone interact. energy: -0.052
local terms energy: -51.233701
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -0.917
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: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -80.044495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.044495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.044495 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.307
local terms energy: -44.158824
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -10.200
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: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -76.402057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.402057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.402057 (E_RNA)
where:
Base-Base interactions energy: -21.863
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.065
local terms energy: -54.473956
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -201.821305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.821305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.821305 (E_RNA)
where:
Base-Base interactions energy: -122.015
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.182
local terms energy: -79.623629
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -194.245690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.245690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.245690 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.008
local terms energy: -75.002708
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -127.025150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.025150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.025150 (E_RNA)
where:
Base-Base interactions energy: -63.267
where: short stacking energy: -47.660
Base-Backbone interact. energy: 0.290
local terms energy: -64.049080
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.919
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -125.681603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.681603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.681603 (E_RNA)
where:
Base-Base interactions energy: -59.515
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.013
local terms energy: -66.153599
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -104.267315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.267315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.267315 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.375
local terms energy: -69.578655
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -100.488298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.488298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.488298 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -24.731
Base-Backbone interact. energy: -0.141
local terms energy: -63.814240
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -111.162039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.162039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.162039 (E_RNA)
where:
Base-Base interactions energy: -58.229
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.333
local terms energy: -52.600608
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.921
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -77.275396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.275396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.275396 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -22.400
Base-Backbone interact. energy: 0.620
local terms energy: -45.889956
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -8.026
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -79.910666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.910666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.910666 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.160
local terms energy: -48.628968
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -7.629
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: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -78.325225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.325225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.325225 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.002
local terms energy: -51.188536
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -10.270
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: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -203.144441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.144441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.144441 (E_RNA)
where:
Base-Base interactions energy: -125.063
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.017
local terms energy: -78.064084
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -200.782004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.782004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.782004 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -72.834
Base-Backbone interact. energy: -0.004
local terms energy: -81.699903
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -138.917586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.917586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.917586 (E_RNA)
where:
Base-Base interactions energy: -76.091
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.198
local terms energy: -62.628291
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -120.139026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.139026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.139026 (E_RNA)
where:
Base-Base interactions energy: -70.008
where: short stacking energy: -30.561
Base-Backbone interact. energy: -0.115
local terms energy: -50.015697
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -95.525254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.525254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.525254 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.392
local terms energy: -57.097915
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -95.930132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.930132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.930132 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.094
local terms energy: -61.642906
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.995
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: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -99.369049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.369049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.369049 (E_RNA)
where:
Base-Base interactions energy: -46.690
where: short stacking energy: -30.701
Base-Backbone interact. energy: -0.017
local terms energy: -52.662562
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -82.932350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932350 (E_RNA)
where:
Base-Base interactions energy: -31.899
where: short stacking energy: -21.445
Base-Backbone interact. energy: -0.248
local terms energy: -50.784740
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.460104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.460104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.460104 (E_RNA)
where:
Base-Base interactions energy: -33.663
where: short stacking energy: -19.219
Base-Backbone interact. energy: -0.238
local terms energy: -46.558914
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -77.138982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.138982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.138982 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -24.333
Base-Backbone interact. energy: -0.368
local terms energy: -44.328556
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -191.604083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.604083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.604083 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.006
local terms energy: -67.305715
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -207.500634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.500634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.500634 (E_RNA)
where:
Base-Base interactions energy: -125.782
where: short stacking energy: -75.017
Base-Backbone interact. energy: -0.491
local terms energy: -81.228094
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -120.736410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.736410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.736410 (E_RNA)
where:
Base-Base interactions energy: -61.061
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.077
local terms energy: -59.598706
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.513
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: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -104.925386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.925386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.925386 (E_RNA)
where:
Base-Base interactions energy: -48.191
where: short stacking energy: -43.657
Base-Backbone interact. energy: -0.114
local terms energy: -56.619794
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -12.250
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: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -116.088078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.088078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.088078 (E_RNA)
where:
Base-Base interactions energy: -67.623
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.324
local terms energy: -48.140359
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -95.434927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.434927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.434927 (E_RNA)
where:
Base-Base interactions energy: -43.468
where: short stacking energy: -34.463
Base-Backbone interact. energy: -0.180
local terms energy: -51.787056
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -5.067
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: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -88.852311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852311 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.111
local terms energy: -56.700038
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -89.444060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.444060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.444060 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.066
local terms energy: -51.128815
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -80.664388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664388 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -19.312
Base-Backbone interact. energy: -0.313
local terms energy: -45.562808
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -78.302370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302370 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.089
local terms energy: -49.943764
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -185.737197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.737197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.737197 (E_RNA)
where:
Base-Base interactions energy: -111.141
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.116
local terms energy: -74.480775
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -190.130218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.130218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.130218 (E_RNA)
where:
Base-Base interactions energy: -119.889
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.019
local terms energy: -70.222159
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -121.283283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.283283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.283283 (E_RNA)
where:
Base-Base interactions energy: -55.675
where: short stacking energy: -55.675
Base-Backbone interact. energy: -0.288
local terms energy: -65.320470
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -13.254
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: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -122.607413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.607413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.607413 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.001
local terms energy: -68.506525
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.892
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -107.410655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.410655 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.181
local terms energy: -61.844528
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -104.083199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083199 (E_RNA)
where:
Base-Base interactions energy: -53.610
where: short stacking energy: -24.574
Base-Backbone interact. energy: 0.915
local terms energy: -51.387814
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -99.492544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492544 (E_RNA)
where:
Base-Base interactions energy: -45.636
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.339
local terms energy: -53.518087
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -92.213813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.213813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.213813 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -39.089
Base-Backbone interact. energy: 1.003
local terms energy: -54.127381
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -12.189
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -79.052832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.052832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.052832 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -23.815
Base-Backbone interact. energy: -1.361
local terms energy: -41.842013
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: 2.179
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: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -75.570545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.570545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.570545 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.182
local terms energy: -46.703820
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -3.965
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: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -186.442371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.442371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.442371 (E_RNA)
where:
Base-Base interactions energy: -114.613
where: short stacking energy: -62.466
Base-Backbone interact. energy: 0.341
local terms energy: -72.170313
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -185.059882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.059882 (E_RNA)
where:
Base-Base interactions energy: -112.770
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.054
local terms energy: -72.235751
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -125.937093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.937093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.937093 (E_RNA)
where:
Base-Base interactions energy: -59.166
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.444
local terms energy: -66.327681
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -111.474854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.474854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.474854 (E_RNA)
where:
Base-Base interactions energy: -49.884
where: short stacking energy: -37.760
Base-Backbone interact. energy: -1.010
local terms energy: -60.581043
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.579
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: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -100.841397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.841397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.841397 (E_RNA)
where:
Base-Base interactions energy: -41.670
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.124
local terms energy: -59.047419
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -100.363211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.363211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.363211 (E_RNA)
where:
Base-Base interactions energy: -40.917
where: short stacking energy: -31.321
Base-Backbone interact. energy: 0.739
local terms energy: -60.184617
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -83.872432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.872432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.872432 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -27.628
Base-Backbone interact. energy: -0.479
local terms energy: -51.639235
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.050
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: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -74.675708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.675708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.675708 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -25.598
Base-Backbone interact. energy: 0.436
local terms energy: -44.176072
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -73.499286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.499286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.499286 (E_RNA)
where:
Base-Base interactions energy: -26.819
where: short stacking energy: -23.159
Base-Backbone interact. energy: -0.165
local terms energy: -46.514945
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: 2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -74.921602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.921602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.921602 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.147
local terms energy: -46.054289
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -186.436954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.436954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.436954 (E_RNA)
where:
Base-Base interactions energy: -109.832
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.132
local terms energy: -76.473142
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -188.179777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.179777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.179777 (E_RNA)
where:
Base-Base interactions energy: -117.300
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.141
local terms energy: -70.739082
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -128.220235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.220235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.220235 (E_RNA)
where:
Base-Base interactions energy: -57.369
where: short stacking energy: -47.618
Base-Backbone interact. energy: -0.000
local terms energy: -70.851110
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -109.774871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.774871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.774871 (E_RNA)
where:
Base-Base interactions energy: -56.768
where: short stacking energy: -41.774
Base-Backbone interact. energy: -1.402
local terms energy: -51.605042
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -115.011147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.011147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.011147 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -48.381
Base-Backbone interact. energy: -0.252
local terms energy: -65.254397
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -98.052239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052239 (E_RNA)
where:
Base-Base interactions energy: -44.331
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.006
local terms energy: -53.714493
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -96.148452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148452 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -25.854
Base-Backbone interact. energy: -0.056
local terms energy: -56.859026
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -3.792
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: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -93.901674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.901674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.901674 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -40.929
Base-Backbone interact. energy: -0.203
local terms energy: -52.769466
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -91.662054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662054 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -35.411
Base-Backbone interact. energy: -0.018
local terms energy: -51.886435
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -10.878
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: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -79.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.149231 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -25.637
Base-Backbone interact. energy: -0.167
local terms energy: -49.173132
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -7.872
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -191.995774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.995774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.995774 (E_RNA)
where:
Base-Base interactions energy: -117.304
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.045
local terms energy: -74.646542
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -18.687
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: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -123.643195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.643195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.643195 (E_RNA)
where:
Base-Base interactions energy: -57.267
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.140
local terms energy: -66.236337
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -177.302643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.302643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.302643 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.219
local terms energy: -73.287030
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -15.128
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: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -116.380126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.380126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.380126 (E_RNA)
where:
Base-Base interactions energy: -59.367
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.121
local terms energy: -56.892392
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -124.881549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.881549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.881549 (E_RNA)
where:
Base-Base interactions energy: -71.621
where: short stacking energy: -39.743
Base-Backbone interact. energy: 1.845
local terms energy: -55.105120
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -85.178191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.178191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.178191 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.234
local terms energy: -50.137032
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.362
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: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -87.807157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807157 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -36.117
Base-Backbone interact. energy: 1.205
local terms energy: -52.285223
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -86.233115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233115 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -25.976
Base-Backbone interact. energy: -0.095
local terms energy: -48.516367
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -6.640
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -81.176796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176796 (E_RNA)
where:
Base-Base interactions energy: -28.938
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.249
local terms energy: -51.990223
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -78.574712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.574712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.574712 (E_RNA)
where:
Base-Base interactions energy: -28.291
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.141
local terms energy: -50.143137
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -182.074118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.074118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.074118 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.011
local terms energy: -72.617869
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -124.160768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.160768 (E_RNA)
where:
Base-Base interactions energy: -65.122
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.462
local terms energy: -58.576915
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.411
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: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -185.420298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.420298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.420298 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.812
local terms energy: -66.303816
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -107.870377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.870377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.870377 (E_RNA)
where:
Base-Base interactions energy: -47.896
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.052
local terms energy: -59.921653
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -7.437
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: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -92.159600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.159600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.159600 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.257
local terms energy: -59.229922
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -92.133802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.133802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.133802 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -37.914
Base-Backbone interact. energy: -0.176
local terms energy: -54.657877
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -102.460076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.460076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.460076 (E_RNA)
where:
Base-Base interactions energy: -36.624
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.009
local terms energy: -65.826753
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -89.965232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.965232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.965232 (E_RNA)
where:
Base-Base interactions energy: -34.224
where: short stacking energy: -29.574
Base-Backbone interact. energy: 0.318
local terms energy: -56.058761
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -7.680
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: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -76.550420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550420 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.169
local terms energy: -42.427782
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -1.570
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: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -80.645033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.645033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.645033 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -26.377
Base-Backbone interact. energy: 0.702
local terms energy: -52.292700
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -189.049209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049209 (E_RNA)
where:
Base-Base interactions energy: -117.093
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.006
local terms energy: -71.950530
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -190.437904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.437904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.437904 (E_RNA)
where:
Base-Base interactions energy: -117.268
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.499
local terms energy: -72.670708
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -142.920837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.920837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.920837 (E_RNA)
where:
Base-Base interactions energy: -83.410
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.199
local terms energy: -59.311819
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -7.128
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: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -103.645563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.645563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.645563 (E_RNA)
where:
Base-Base interactions energy: -48.440
where: short stacking energy: -45.733
Base-Backbone interact. energy: -0.007
local terms energy: -55.198839
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -101.233242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.233242 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.041
local terms energy: -58.435236
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.323
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -102.559735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.559735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.559735 (E_RNA)
where:
Base-Base interactions energy: -44.107
where: short stacking energy: -38.775
Base-Backbone interact. energy: -0.293
local terms energy: -58.160015
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -94.501575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.501575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.501575 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.367
local terms energy: -54.404321
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -84.203423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203423 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.127
local terms energy: -49.465235
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -4.696
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: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -77.094254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.094254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.094254 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.048
local terms energy: -47.332687
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -74.516605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.516605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.516605 (E_RNA)
where:
Base-Base interactions energy: -23.148
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.131
local terms energy: -51.237293
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.451
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: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -191.745352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.745352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.745352 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.016
local terms energy: -78.107322
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -183.275925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.275925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.275925 (E_RNA)
where:
Base-Base interactions energy: -109.648
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.695
local terms energy: -72.933179
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -165.023294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.023294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.023294 (E_RNA)
where:
Base-Base interactions energy: -98.456
where: short stacking energy: -50.566
Base-Backbone interact. energy: -0.121
local terms energy: -66.446372
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.706
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: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -94.791186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.791186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.791186 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.160
local terms energy: -55.652444
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.741
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: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -107.922755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.922755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.922755 (E_RNA)
where:
Base-Base interactions energy: -48.556
where: short stacking energy: -32.108
Base-Backbone interact. energy: 0.775
local terms energy: -60.141146
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.580
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: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -95.845612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.845612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.845612 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.678
local terms energy: -61.154586
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.224
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -96.737605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737605 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.202
local terms energy: -60.538700
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -90.876993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.876993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.876993 (E_RNA)
where:
Base-Base interactions energy: -40.976
where: short stacking energy: -28.457
Base-Backbone interact. energy: -0.165
local terms energy: -49.735627
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -79.127203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127203 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.158
local terms energy: -46.099234
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -11.246
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: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -71.939629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.939629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.939629 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -15.487
Base-Backbone interact. energy: -0.153
local terms energy: -41.996673
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -195.235822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.235822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.235822 (E_RNA)
where:
Base-Base interactions energy: -120.926
where: short stacking energy: -70.481
Base-Backbone interact. energy: -0.015
local terms energy: -74.295492
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -193.927872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927872 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.044
local terms energy: -75.978780
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -152.377596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.377596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.377596 (E_RNA)
where:
Base-Base interactions energy: -98.273
where: short stacking energy: -51.706
Base-Backbone interact. energy: -0.211
local terms energy: -53.893439
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.695
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -138.099551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.099551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.099551 (E_RNA)
where:
Base-Base interactions energy: -63.303
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.032
local terms energy: -74.764366
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -17.560
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: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -111.853354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.853354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.853354 (E_RNA)
where:
Base-Base interactions energy: -57.115
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.143
local terms energy: -54.595391
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -109.522222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522222 (E_RNA)
where:
Base-Base interactions energy: -59.750
where: short stacking energy: -42.756
Base-Backbone interact. energy: -1.763
local terms energy: -48.009347
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -6.430
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: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -94.687368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.687368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.687368 (E_RNA)
where:
Base-Base interactions energy: -41.820
where: short stacking energy: -29.731
Base-Backbone interact. energy: -0.031
local terms energy: -52.835770
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -1.730
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -80.338670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.338670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.338670 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -22.167
Base-Backbone interact. energy: 0.999
local terms energy: -46.954855
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -3.106
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: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -88.397482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.397482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.397482 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -31.881
Base-Backbone interact. energy: 0.108
local terms energy: -51.379624
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -7.637
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: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -74.915986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.915986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.915986 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -14.438
Base-Backbone interact. energy: -0.211
local terms energy: -45.470892
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.975
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -206.284111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.284111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.284111 (E_RNA)
where:
Base-Base interactions energy: -123.681
where: short stacking energy: -75.289
Base-Backbone interact. energy: -0.043
local terms energy: -82.559748
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -187.683155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.683155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.683155 (E_RNA)
where:
Base-Base interactions energy: -108.408
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.014
local terms energy: -79.261087
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -167.594051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.594051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.594051 (E_RNA)
where:
Base-Base interactions energy: -107.839
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.098
local terms energy: -59.657625
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -122.430562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.430562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.430562 (E_RNA)
where:
Base-Base interactions energy: -57.921
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.171
local terms energy: -64.338786
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -8.048
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -121.257759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.257759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.257759 (E_RNA)
where:
Base-Base interactions energy: -58.168
where: short stacking energy: -31.406
Base-Backbone interact. energy: 0.094
local terms energy: -63.184658
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -93.576822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.576822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.576822 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -26.032
Base-Backbone interact. energy: 0.653
local terms energy: -58.669183
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.919
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -96.622412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.622412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.622412 (E_RNA)
where:
Base-Base interactions energy: -41.844
where: short stacking energy: -38.752
Base-Backbone interact. energy: -0.130
local terms energy: -54.648219
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.196
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: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -88.935209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.935209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.935209 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.313
local terms energy: -52.020383
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -6.460
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: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -94.335099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.335099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.335099 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.132
local terms energy: -47.290009
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -95.272747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.272747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.272747 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -36.982
Base-Backbone interact. energy: -0.026
local terms energy: -55.198021
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -6.495
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -202.920975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.920975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.920975 (E_RNA)
where:
Base-Base interactions energy: -127.551
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.019
local terms energy: -75.351312
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -195.458627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.458627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.458627 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.403
local terms energy: -75.623754
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -171.371024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.371024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.371024 (E_RNA)
where:
Base-Base interactions energy: -97.568
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.721
local terms energy: -73.082320
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -123.440719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.440719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.440719 (E_RNA)
where:
Base-Base interactions energy: -65.262
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.033
local terms energy: -58.146020
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -105.913937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.913937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.913937 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -45.514
Base-Backbone interact. energy: -0.059
local terms energy: -60.341120
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -101.242966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.242966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.242966 (E_RNA)
where:
Base-Base interactions energy: -41.657
where: short stacking energy: -41.657
Base-Backbone interact. energy: -0.037
local terms energy: -59.549679
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.681
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: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -100.748936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.748936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.748936 (E_RNA)
where:
Base-Base interactions energy: -46.744
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.958
local terms energy: -53.047550
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -10.945
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: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -83.381233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.381233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.381233 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.081
local terms energy: -54.600777
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -82.419073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.419073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.419073 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.061
local terms energy: -47.795812
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -5.447
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: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -73.843537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.843537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.843537 (E_RNA)
where:
Base-Base interactions energy: -24.114
where: short stacking energy: -24.114
Base-Backbone interact. energy: -0.091
local terms energy: -49.638460
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -204.301905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.301905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.301905 (E_RNA)
where:
Base-Base interactions energy: -122.473
where: short stacking energy: -72.858
Base-Backbone interact. energy: -0.066
local terms energy: -81.763169
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -187.072492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.072492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.072492 (E_RNA)
where:
Base-Base interactions energy: -113.355
where: short stacking energy: -64.617
Base-Backbone interact. energy: 0.095
local terms energy: -73.812938
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -18.499
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -127.409879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.409879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.409879 (E_RNA)
where:
Base-Base interactions energy: -57.540
where: short stacking energy: -44.916
Base-Backbone interact. energy: -1.739
local terms energy: -68.130626
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -197.897203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.897203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.897203 (E_RNA)
where:
Base-Base interactions energy: -115.560
where: short stacking energy: -67.633
Base-Backbone interact. energy: 0.976
local terms energy: -83.313229
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -108.208473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.208473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.208473 (E_RNA)
where:
Base-Base interactions energy: -47.855
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.020
local terms energy: -60.333630
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -89.027845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.027845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.027845 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.081
local terms energy: -51.190043
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -90.929497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.929497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.929497 (E_RNA)
where:
Base-Base interactions energy: -30.490
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.157
local terms energy: -60.282621
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.414854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.414854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.414854 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -34.718
Base-Backbone interact. energy: 0.046
local terms energy: -47.301642
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.296
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -75.824219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.824219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.824219 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -31.937
Base-Backbone interact. energy: 2.486
local terms energy: -44.014107
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -88.872701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.872701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.872701 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -32.427
Base-Backbone interact. energy: 0.680
local terms energy: -47.041547
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -202.795007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.795007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.795007 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.256
local terms energy: -81.783721
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -191.907211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.907211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.907211 (E_RNA)
where:
Base-Base interactions energy: -114.461
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.106
local terms energy: -77.339573
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -19.778
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: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -146.760971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.760971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.760971 (E_RNA)
where:
Base-Base interactions energy: -87.029
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.219
local terms energy: -59.513152
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -181.405332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.405332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.405332 (E_RNA)
where:
Base-Base interactions energy: -103.191
where: short stacking energy: -52.649
Base-Backbone interact. energy: -1.249
local terms energy: -76.965533
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -111.232111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.232111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.232111 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -46.287
Base-Backbone interact. energy: -1.154
local terms energy: -61.284333
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -97.709969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.709969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.709969 (E_RNA)
where:
Base-Base interactions energy: -41.372
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.071
local terms energy: -56.266518
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -95.127765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.127765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.127765 (E_RNA)
where:
Base-Base interactions energy: -31.884
where: short stacking energy: -31.884
Base-Backbone interact. energy: 0.010
local terms energy: -63.254619
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -7.902
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: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -94.506169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.506169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.506169 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.003
local terms energy: -53.919451
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -83.536424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.536424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.536424 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.108
local terms energy: -55.539072
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -5.030
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: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -82.943703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943703 (E_RNA)
where:
Base-Base interactions energy: -28.956
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.117
local terms energy: -53.870486
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -188.763274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.763274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.763274 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.443
local terms energy: -75.883211
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -196.130442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.130442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.130442 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.017
local terms energy: -76.758858
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -187.481042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.481042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.481042 (E_RNA)
where:
Base-Base interactions energy: -110.576
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.399
local terms energy: -76.505879
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -134.848855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.848855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.848855 (E_RNA)
where:
Base-Base interactions energy: -66.420
where: short stacking energy: -49.413
Base-Backbone interact. energy: -0.074
local terms energy: -68.354930
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -105.867671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.867671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.867671 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -46.297
Base-Backbone interact. energy: -0.036
local terms energy: -56.962334
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -113.742946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.742946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.742946 (E_RNA)
where:
Base-Base interactions energy: -57.777
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.096
local terms energy: -55.869946
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.570
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -96.411211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.411211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.411211 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -34.129
Base-Backbone interact. energy: -0.058
local terms energy: -45.937017
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -87.275709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.275709 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.007
local terms energy: -54.894602
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -80.592667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.592667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.592667 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -26.261
Base-Backbone interact. energy: 0.449
local terms energy: -49.962406
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -84.110611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110611 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -20.178
Base-Backbone interact. energy: -0.313
local terms energy: -57.997501
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -201.284984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.284984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.284984 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.015
local terms energy: -81.185125
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -196.560387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560387 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -73.384
Base-Backbone interact. energy: -0.000
local terms energy: -75.561854
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -21.452
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -187.605710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.605710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.605710 (E_RNA)
where:
Base-Base interactions energy: -116.442
where: short stacking energy: -55.133
Base-Backbone interact. energy: -0.874
local terms energy: -70.290488
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -130.669597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.669597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.669597 (E_RNA)
where:
Base-Base interactions energy: -65.789
where: short stacking energy: -38.567
Base-Backbone interact. energy: -0.699
local terms energy: -64.181129
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.666
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: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -98.123678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.123678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.123678 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.365
local terms energy: -54.727227
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -100.066490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.066490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.066490 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.068
local terms energy: -61.632220
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -5.669
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: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -86.804201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804201 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.023
local terms energy: -56.871866
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -82.384719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.384719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.384719 (E_RNA)
where:
Base-Base interactions energy: -34.275
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.541
local terms energy: -47.569054
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -80.106277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.106277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.106277 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -27.387
Base-Backbone interact. energy: -0.336
local terms energy: -50.576493
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -87.576646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.576646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.576646 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.021
local terms energy: -53.127749
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -197.018530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.018530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.018530 (E_RNA)
where:
Base-Base interactions energy: -120.925
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.419
local terms energy: -75.674994
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -194.051871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.051871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.051871 (E_RNA)
where:
Base-Base interactions energy: -113.551
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.048
local terms energy: -80.453280
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.238
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: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -189.229658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229658 (E_RNA)
where:
Base-Base interactions energy: -122.066
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.028
local terms energy: -67.135854
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -18.146
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: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -119.183015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.183015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.183015 (E_RNA)
where:
Base-Base interactions energy: -59.337
where: short stacking energy: -43.711
Base-Backbone interact. energy: -0.154
local terms energy: -59.691712
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -11.975
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: 168
Temperature: 1.100000
Total energy: -91.761479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761479 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -28.864
Base-Backbone interact. energy: 0.904
local terms energy: -63.801376
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -91.986620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.986620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.986620 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -29.263
Base-Backbone interact. energy: -0.642
local terms energy: -51.939514
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -10.079
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: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -97.637096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.637096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.637096 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -37.788
Base-Backbone interact. energy: -0.014
local terms energy: -59.835129
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -89.281659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.281659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.281659 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.108
local terms energy: -48.516803
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -4.020
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -87.040864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040864 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.118
local terms energy: -49.903941
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -74.731749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.731749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.731749 (E_RNA)
where:
Base-Base interactions energy: -24.619
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.093
local terms energy: -50.019432
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -202.535753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.535753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.535753 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -75.130
Base-Backbone interact. energy: -0.002
local terms energy: -76.241921
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -208.730987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.730987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.730987 (E_RNA)
where:
Base-Base interactions energy: -133.525
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.502
local terms energy: -74.704453
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -188.961581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.961581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.961581 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.107
local terms energy: -76.606013
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -102.246584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.246584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.246584 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -35.215
Base-Backbone interact. energy: 0.536
local terms energy: -59.128283
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -99.395959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.395959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.395959 (E_RNA)
where:
Base-Base interactions energy: -43.029
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.187
local terms energy: -56.180214
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -93.439448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.439448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.439448 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.059
local terms energy: -57.645721
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -80.167019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167019 (E_RNA)
where:
Base-Base interactions energy: -32.847
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.113
local terms energy: -47.206281
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -81.344209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.344209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.344209 (E_RNA)
where:
Base-Base interactions energy: -24.516
where: short stacking energy: -23.395
Base-Backbone interact. energy: 0.291
local terms energy: -57.119405
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -8.498
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: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -82.397244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397244 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.127
local terms energy: -45.442200
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: 2.094
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: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -82.452449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.452449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.452449 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.244
local terms energy: -50.091650
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.885
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: 170
Temperature: 0.900000
Total energy: -209.228216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.228216 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.065
local terms energy: -76.636801
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -199.957971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.957971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.957971 (E_RNA)
where:
Base-Base interactions energy: -124.240
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.021
local terms energy: -75.697837
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -199.264210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.264210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.264210 (E_RNA)
where:
Base-Base interactions energy: -122.520
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.001
local terms energy: -76.743299
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.673
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: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -111.607345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.607345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.607345 (E_RNA)
where:
Base-Base interactions energy: -57.088
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.071
local terms energy: -54.448852
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -11.842
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: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -117.027570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.027570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.027570 (E_RNA)
where:
Base-Base interactions energy: -62.121
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.066
local terms energy: -54.840579
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -98.643061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.643061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.643061 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -44.716
Base-Backbone interact. energy: 0.236
local terms energy: -54.163594
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -103.715451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.715451 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.133
local terms energy: -54.499831
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -82.069404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069404 (E_RNA)
where:
Base-Base interactions energy: -34.040
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.095
local terms energy: -47.934543
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.594
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: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -77.269037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.269037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.269037 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -35.404
Base-Backbone interact. energy: -0.636
local terms energy: -36.672280
where:
bonds (distance) C4'-P energy: -2.647
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -1.148
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -80.943260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.943260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.943260 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.321
local terms energy: -46.815543
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: 1.294
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: 171
Temperature: 0.900000
Total energy: -204.436408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.436408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.436408 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.030
local terms energy: -70.434192
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -192.281243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.281243 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.003
local terms energy: -78.757848
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -182.347708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.347708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.347708 (E_RNA)
where:
Base-Base interactions energy: -112.450
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.021
local terms energy: -69.877330
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -110.186078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.186078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.186078 (E_RNA)
where:
Base-Base interactions energy: -45.666
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.105
local terms energy: -64.415756
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -110.783993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.783993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.783993 (E_RNA)
where:
Base-Base interactions energy: -44.797
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.716
local terms energy: -65.270212
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -96.828427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.828427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.828427 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -35.188
Base-Backbone interact. energy: -0.019
local terms energy: -59.080860
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.515
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -91.906520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.906520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.906520 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -24.064
Base-Backbone interact. energy: -0.617
local terms energy: -56.878466
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -77.943832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.943832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.943832 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.198
local terms energy: -43.176716
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -4.983
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -78.827488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.827488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.827488 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.260
local terms energy: -49.871963
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -72.283645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.283645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.283645 (E_RNA)
where:
Base-Base interactions energy: -20.436
where: short stacking energy: -16.584
Base-Backbone interact. energy: -0.102
local terms energy: -51.745514
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -201.379516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.379516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.379516 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.249
local terms energy: -74.881936
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -199.936379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.936379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.936379 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.109
local terms energy: -67.066204
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -191.344281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.344281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.344281 (E_RNA)
where:
Base-Base interactions energy: -119.745
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.322
local terms energy: -71.276678
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -125.765825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.765825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.765825 (E_RNA)
where:
Base-Base interactions energy: -58.064
where: short stacking energy: -58.035
Base-Backbone interact. energy: -0.005
local terms energy: -67.696191
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -100.656151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.656151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.656151 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -40.632
Base-Backbone interact. energy: -0.354
local terms energy: -59.093286
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -98.684279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.684279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.684279 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -37.808
Base-Backbone interact. energy: 0.464
local terms energy: -53.443188
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -84.694106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.694106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.694106 (E_RNA)
where:
Base-Base interactions energy: -28.486
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.421
local terms energy: -55.787213
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -91.584862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584862 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -42.716
Base-Backbone interact. energy: 0.487
local terms energy: -49.356492
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -4.679
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: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -84.100097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.100097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.100097 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.524
local terms energy: -45.813268
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.142357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142357 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -27.509
Base-Backbone interact. energy: 0.548
local terms energy: -48.201570
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -7.807
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: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -205.633487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633487 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.090
local terms energy: -73.467174
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -6.715
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -198.632808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.632808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.632808 (E_RNA)
where:
Base-Base interactions energy: -130.573
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.197
local terms energy: -67.862634
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -170.698239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.698239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.698239 (E_RNA)
where:
Base-Base interactions energy: -103.142
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.607
local terms energy: -66.948474
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -103.741218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.741218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.741218 (E_RNA)
where:
Base-Base interactions energy: -46.079
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.046
local terms energy: -57.616589
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -7.035
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -110.136192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.136192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.136192 (E_RNA)
where:
Base-Base interactions energy: -41.772
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.113
local terms energy: -68.251127
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -92.879754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879754 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.800
local terms energy: -49.675666
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -100.679895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679895 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.032
local terms energy: -53.627018
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -86.470623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.470623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.470623 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -32.596
Base-Backbone interact. energy: -1.227
local terms energy: -49.460643
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -2.242
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: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -79.367091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.367091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.367091 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -19.446
Base-Backbone interact. energy: -0.217
local terms energy: -50.035612
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: 3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.585202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.585202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.585202 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -21.087
Base-Backbone interact. energy: -0.151
local terms energy: -53.065913
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -196.181054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.181054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.181054 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -61.846
Base-Backbone interact. energy: 0.018
local terms energy: -69.638336
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -202.883389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.883389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.883389 (E_RNA)
where:
Base-Base interactions energy: -134.835
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.493
local terms energy: -67.555668
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -14.411
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: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -177.109979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.109979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.109979 (E_RNA)
where:
Base-Base interactions energy: -106.826
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.223
local terms energy: -70.061039
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.769
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -107.875510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.875510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.875510 (E_RNA)
where:
Base-Base interactions energy: -50.043
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.509
local terms energy: -57.323263
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -6.519
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -115.058105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.058105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.058105 (E_RNA)
where:
Base-Base interactions energy: -55.243
where: short stacking energy: -35.442
Base-Backbone interact. energy: -1.060
local terms energy: -58.755385
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -8.290
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: 174
Temperature: 1.150000
Total energy: -89.239994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239994 (E_RNA)
where:
Base-Base interactions energy: -44.812
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.526
local terms energy: -43.901330
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -95.355765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.355765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.355765 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -24.460
Base-Backbone interact. energy: -0.656
local terms energy: -53.953805
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -79.908614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.908614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.908614 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -17.722
Base-Backbone interact. energy: -0.146
local terms energy: -57.086485
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -84.940574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.940574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.940574 (E_RNA)
where:
Base-Base interactions energy: -29.568
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.108
local terms energy: -55.265432
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -75.997341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.997341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.997341 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.116
local terms energy: -46.720139
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -194.548491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.548491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.548491 (E_RNA)
where:
Base-Base interactions energy: -112.935
where: short stacking energy: -63.726
Base-Backbone interact. energy: -1.163
local terms energy: -80.451021
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -186.652105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.652105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.652105 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.020
local terms energy: -77.599702
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -194.818236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.818236 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -60.745
Base-Backbone interact. energy: -1.610
local terms energy: -72.365523
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -118.346917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.346917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.346917 (E_RNA)
where:
Base-Base interactions energy: -51.689
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.059
local terms energy: -66.598713
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -109.210250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.210250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.210250 (E_RNA)
where:
Base-Base interactions energy: -51.314
where: short stacking energy: -38.919
Base-Backbone interact. energy: 0.259
local terms energy: -58.155432
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.086
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: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -103.067134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.067134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.067134 (E_RNA)
where:
Base-Base interactions energy: -48.669
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.103
local terms energy: -54.294884
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -89.989833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.989833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.989833 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.305
local terms energy: -48.073991
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -11.231
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: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -88.735279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735279 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.123
local terms energy: -47.825342
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -73.580625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.580625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.580625 (E_RNA)
where:
Base-Base interactions energy: -22.719
where: short stacking energy: -22.719
Base-Backbone interact. energy: -0.088
local terms energy: -50.772818
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -74.215039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.215039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.215039 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.236
local terms energy: -45.015936
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -192.556083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.556083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.556083 (E_RNA)
where:
Base-Base interactions energy: -114.628
where: short stacking energy: -61.100
Base-Backbone interact. energy: 0.314
local terms energy: -78.242097
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -187.196889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.196889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.196889 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.023
local terms energy: -71.806357
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -177.621572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.621572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.621572 (E_RNA)
where:
Base-Base interactions energy: -103.274
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.008
local terms energy: -74.339584
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -129.035069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.035069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.035069 (E_RNA)
where:
Base-Base interactions energy: -70.570
where: short stacking energy: -39.273
Base-Backbone interact. energy: -0.089
local terms energy: -58.376033
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -10.139
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -108.831629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831629 (E_RNA)
where:
Base-Base interactions energy: -60.222
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.712
local terms energy: -47.897859
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -97.491522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.491522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.491522 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -30.491
Base-Backbone interact. energy: 0.229
local terms energy: -53.133631
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.045
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -109.190342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.190342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.190342 (E_RNA)
where:
Base-Base interactions energy: -55.619
where: short stacking energy: -20.655
Base-Backbone interact. energy: -1.413
local terms energy: -52.158074
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: 2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -85.765769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765769 (E_RNA)
where:
Base-Base interactions energy: -40.751
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.510
local terms energy: -44.504685
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 3.184
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: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.197948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197948 (E_RNA)
where:
Base-Base interactions energy: -35.533
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.934
local terms energy: -41.731146
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -7.026
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -76.891554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.891554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.891554 (E_RNA)
where:
Base-Base interactions energy: -28.279
where: short stacking energy: -28.168
Base-Backbone interact. energy: 1.152
local terms energy: -49.764531
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -199.662933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.662933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.662933 (E_RNA)
where:
Base-Base interactions energy: -118.535
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.006
local terms energy: -81.121631
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -19.606
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: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -189.855993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.855993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.855993 (E_RNA)
where:
Base-Base interactions energy: -115.394
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.002
local terms energy: -74.460538
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -191.249316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.249316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.249316 (E_RNA)
where:
Base-Base interactions energy: -115.860
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.005
local terms energy: -75.383632
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -161.275446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.275446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.275446 (E_RNA)
where:
Base-Base interactions energy: -95.366
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.009
local terms energy: -65.900745
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -16.309
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: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -98.310384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.310384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.310384 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.035
local terms energy: -57.687985
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.306
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -108.376683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.376683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.376683 (E_RNA)
where:
Base-Base interactions energy: -52.410
where: short stacking energy: -35.966
Base-Backbone interact. energy: -0.220
local terms energy: -55.746628
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -87.472001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472001 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.122
local terms energy: -54.512359
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -12.824
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: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -84.043136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.043136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.043136 (E_RNA)
where:
Base-Base interactions energy: -29.185
where: short stacking energy: -28.765
Base-Backbone interact. energy: -0.059
local terms energy: -54.799309
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -9.899
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: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.323382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.323382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.323382 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -35.109
Base-Backbone interact. energy: -0.209
local terms energy: -53.742175
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -11.441
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: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -74.516740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.516740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.516740 (E_RNA)
where:
Base-Base interactions energy: -24.650
where: short stacking energy: -25.199
Base-Backbone interact. energy: -0.556
local terms energy: -49.310353
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -2.012
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -191.990224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.990224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.990224 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.000
local terms energy: -71.678467
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -13.169
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -194.318022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.318022 (E_RNA)
where:
Base-Base interactions energy: -118.079
where: short stacking energy: -71.773
Base-Backbone interact. energy: -0.119
local terms energy: -76.120108
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -194.133530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.133530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.133530 (E_RNA)
where:
Base-Base interactions energy: -116.681
where: short stacking energy: -69.285
Base-Backbone interact. energy: -0.165
local terms energy: -77.287275
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -152.061550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.061550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.061550 (E_RNA)
where:
Base-Base interactions energy: -98.411
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.368
local terms energy: -53.282877
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -11.889
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: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -121.728458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.728458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.728458 (E_RNA)
where:
Base-Base interactions energy: -57.341
where: short stacking energy: -41.316
Base-Backbone interact. energy: -0.096
local terms energy: -64.292236
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -10.325
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: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -85.395312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395312 (E_RNA)
where:
Base-Base interactions energy: -37.677
where: short stacking energy: -21.088
Base-Backbone interact. energy: -0.045
local terms energy: -47.673159
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -10.311
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: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -86.254252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254252 (E_RNA)
where:
Base-Base interactions energy: -38.099
where: short stacking energy: -13.923
Base-Backbone interact. energy: -2.673
local terms energy: -45.482588
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -86.508197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508197 (E_RNA)
where:
Base-Base interactions energy: -25.482
where: short stacking energy: -25.482
Base-Backbone interact. energy: 0.419
local terms energy: -61.444791
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -77.863441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863441 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -25.397
Base-Backbone interact. energy: -0.154
local terms energy: -46.087704
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -6.873
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: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -76.634818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.634818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.634818 (E_RNA)
where:
Base-Base interactions energy: -24.356
where: short stacking energy: -22.090
Base-Backbone interact. energy: -1.625
local terms energy: -50.653792
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -205.170751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170751 (E_RNA)
where:
Base-Base interactions energy: -126.533
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.038
local terms energy: -78.599161
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -201.183470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.183470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.183470 (E_RNA)
where:
Base-Base interactions energy: -123.959
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.016
local terms energy: -77.207851
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -193.440694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.440694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.440694 (E_RNA)
where:
Base-Base interactions energy: -120.431
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.194
local terms energy: -72.815401
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -18.057
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -122.238808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.238808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.238808 (E_RNA)
where:
Base-Base interactions energy: -59.858
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.140
local terms energy: -62.241114
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -148.744840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.744840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.744840 (E_RNA)
where:
Base-Base interactions energy: -89.529
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.017
local terms energy: -59.198194
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -13.699
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: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -102.768919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.768919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.768919 (E_RNA)
where:
Base-Base interactions energy: -48.033
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.616
local terms energy: -54.120264
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -106.763638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.763638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.763638 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.092
local terms energy: -65.779117
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -8.818
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: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -84.235089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.235089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.235089 (E_RNA)
where:
Base-Base interactions energy: -26.660
where: short stacking energy: -21.875
Base-Backbone interact. energy: -1.194
local terms energy: -56.381620
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -77.149793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.149793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.149793 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.115
local terms energy: -50.365093
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -86.160802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.160802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.160802 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.036
local terms energy: -49.489099
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -6.860
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: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -197.973345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.973345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.973345 (E_RNA)
where:
Base-Base interactions energy: -117.842
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.000
local terms energy: -80.130524
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -13.645
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: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -200.286220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.286220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.286220 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.002
local terms energy: -77.369433
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -190.930905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.930905 (E_RNA)
where:
Base-Base interactions energy: -119.721
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.059
local terms energy: -71.150807
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -130.793832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.793832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.793832 (E_RNA)
where:
Base-Base interactions energy: -62.382
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.059
local terms energy: -68.353147
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.508
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: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -158.213062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.213062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.213062 (E_RNA)
where:
Base-Base interactions energy: -96.605
where: short stacking energy: -46.304
Base-Backbone interact. energy: -0.039
local terms energy: -61.568559
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -111.690388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.690388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.690388 (E_RNA)
where:
Base-Base interactions energy: -54.671
where: short stacking energy: -43.366
Base-Backbone interact. energy: 0.246
local terms energy: -57.265814
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -88.275891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.275891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.275891 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.152
local terms energy: -57.146603
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.414
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -90.567063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567063 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.394
local terms energy: -44.357069
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -3.368
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -85.317669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.317669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.317669 (E_RNA)
where:
Base-Base interactions energy: -31.414
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.022
local terms energy: -53.881164
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.922133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922133 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.264
local terms energy: -47.451752
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -192.418022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.418022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.418022 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -69.388
Base-Backbone interact. energy: -0.001
local terms energy: -77.307506
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -195.857446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.857446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.857446 (E_RNA)
where:
Base-Base interactions energy: -121.860
where: short stacking energy: -75.190
Base-Backbone interact. energy: -0.006
local terms energy: -73.991035
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -187.881348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.881348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.881348 (E_RNA)
where:
Base-Base interactions energy: -115.184
where: short stacking energy: -58.867
Base-Backbone interact. energy: 2.233
local terms energy: -74.930828
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -150.894460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.894460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.894460 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.099
local terms energy: -60.184830
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -8.592
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: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -100.948380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.948380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.948380 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.541
local terms energy: -61.358668
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -106.807885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.807885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.807885 (E_RNA)
where:
Base-Base interactions energy: -42.309
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.029
local terms energy: -64.470175
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -7.797
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: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -103.161754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.161754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.161754 (E_RNA)
where:
Base-Base interactions energy: -47.552
where: short stacking energy: -38.264
Base-Backbone interact. energy: -0.138
local terms energy: -55.472235
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -89.026392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.026392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.026392 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -22.661
Base-Backbone interact. energy: 0.187
local terms energy: -53.963554
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -78.604052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604052 (E_RNA)
where:
Base-Base interactions energy: -23.647
where: short stacking energy: -23.647
Base-Backbone interact. energy: -1.403
local terms energy: -53.554304
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -76.793516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.793516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.793516 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -15.420
Base-Backbone interact. energy: -1.370
local terms energy: -42.885023
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: 0.606
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: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -195.536994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.536994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.536994 (E_RNA)
where:
Base-Base interactions energy: -119.095
where: short stacking energy: -70.105
Base-Backbone interact. energy: 0.088
local terms energy: -76.530512
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -18.323
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: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -182.069755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069755 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.026
local terms energy: -69.222769
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -190.981951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.981951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.981951 (E_RNA)
where:
Base-Base interactions energy: -114.601
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.283
local terms energy: -76.097584
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -127.551988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.551988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.551988 (E_RNA)
where:
Base-Base interactions energy: -71.290
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.316
local terms energy: -55.945967
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -10.831
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: 182
Temperature: 1.100000
Total energy: -111.462301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.462301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.462301 (E_RNA)
where:
Base-Base interactions energy: -47.177
where: short stacking energy: -47.040
Base-Backbone interact. energy: -0.021
local terms energy: -64.264105
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -13.910
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: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -109.962994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.962994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.962994 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -36.961
Base-Backbone interact. energy: -0.149
local terms energy: -60.628718
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -6.252
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: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -94.442945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.442945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.442945 (E_RNA)
where:
Base-Base interactions energy: -39.655
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.009
local terms energy: -54.778718
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -87.299493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.299493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.299493 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.890
local terms energy: -49.472180
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -80.836958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836958 (E_RNA)
where:
Base-Base interactions energy: -23.405
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.058
local terms energy: -57.373625
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.904845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904845 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -32.873
Base-Backbone interact. energy: -0.138
local terms energy: -44.155920
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -8.242
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -12.636
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: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -202.065759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065759 (E_RNA)
where:
Base-Base interactions energy: -121.685
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.037
local terms energy: -80.344456
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -19.216
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -189.192058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.192058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.192058 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.559
local terms energy: -65.244045
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -188.951825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.951825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.951825 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.079
local terms energy: -61.996103
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: -19.312
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: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -96.777874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777874 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.239
local terms energy: -61.011497
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -156.356861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.356861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.356861 (E_RNA)
where:
Base-Base interactions energy: -88.878
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.026
local terms energy: -67.452844
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.978
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -99.997285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.997285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.997285 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -33.925
Base-Backbone interact. energy: -0.230
local terms energy: -57.787990
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -2.179
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: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -90.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737618 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -25.538
Base-Backbone interact. energy: 0.298
local terms energy: -65.496979
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -82.085141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.085141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.085141 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -21.214
Base-Backbone interact. energy: -0.811
local terms energy: -46.133781
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -81.929728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.929728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.929728 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.352
local terms energy: -52.742141
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.178
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: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -76.516829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.516829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.516829 (E_RNA)
where:
Base-Base interactions energy: -26.181
where: short stacking energy: -21.769
Base-Backbone interact. energy: -0.577
local terms energy: -49.759313
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -203.316049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.316049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.316049 (E_RNA)
where:
Base-Base interactions energy: -126.424
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.115
local terms energy: -76.777045
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -18.068
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -195.507388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.507388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.507388 (E_RNA)
where:
Base-Base interactions energy: -120.442
where: short stacking energy: -66.568
Base-Backbone interact. energy: 0.200
local terms energy: -75.265275
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -191.408667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.408667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.408667 (E_RNA)
where:
Base-Base interactions energy: -116.599
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.454
local terms energy: -74.355610
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -19.279
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: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -115.696846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.696846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.696846 (E_RNA)
where:
Base-Base interactions energy: -54.070
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.529
local terms energy: -61.098255
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -9.534
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: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -125.296846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.296846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.296846 (E_RNA)
where:
Base-Base interactions energy: -71.085
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.092
local terms energy: -54.120329
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.799
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: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -97.113316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113316 (E_RNA)
where:
Base-Base interactions energy: -47.185
where: short stacking energy: -41.880
Base-Backbone interact. energy: -0.081
local terms energy: -49.847289
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -100.920019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.920019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.920019 (E_RNA)
where:
Base-Base interactions energy: -54.163
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.150
local terms energy: -46.607085
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -5.793
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: 184
Temperature: 1.250000
Total energy: -82.302617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.302617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.302617 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.232
local terms energy: -51.327813
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -1.927
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: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -94.383029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383029 (E_RNA)
where:
Base-Base interactions energy: -49.042
where: short stacking energy: -27.694
Base-Backbone interact. energy: -1.098
local terms energy: -44.242687
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -75.460316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.460316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.460316 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -24.727
Base-Backbone interact. energy: -0.300
local terms energy: -48.698586
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -207.702112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.702112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.702112 (E_RNA)
where:
Base-Base interactions energy: -135.271
where: short stacking energy: -59.129
Base-Backbone interact. energy: -0.028
local terms energy: -72.402747
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -195.193330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.193330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.193330 (E_RNA)
where:
Base-Base interactions energy: -116.449
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.036
local terms energy: -78.708124
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -189.117615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.117615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.117615 (E_RNA)
where:
Base-Base interactions energy: -113.858
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.135
local terms energy: -75.125015
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -130.117207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.117207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.117207 (E_RNA)
where:
Base-Base interactions energy: -77.124
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.141
local terms energy: -52.852061
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -5.217
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -121.636780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.636780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.636780 (E_RNA)
where:
Base-Base interactions energy: -51.636
where: short stacking energy: -51.636
Base-Backbone interact. energy: -0.001
local terms energy: -70.000134
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -99.584191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.584191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.584191 (E_RNA)
where:
Base-Base interactions energy: -36.394
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.165
local terms energy: -63.024981
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -90.652729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652729 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.959
local terms energy: -47.255031
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -92.612895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612895 (E_RNA)
where:
Base-Base interactions energy: -35.204
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.220
local terms energy: -57.189444
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -86.234492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.234492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.234492 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.210
local terms energy: -52.241753
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.716993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.716993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.716993 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.159
local terms energy: -50.524502
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -196.997022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.997022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997022 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -71.142
Base-Backbone interact. energy: -0.011
local terms energy: -78.496357
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -20.612
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -200.920854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920854 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -67.808
Base-Backbone interact. energy: 0.356
local terms energy: -76.790631
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -161.177981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.177981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.177981 (E_RNA)
where:
Base-Base interactions energy: -85.125
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.003
local terms energy: -76.049426
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -129.600568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.600568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.600568 (E_RNA)
where:
Base-Base interactions energy: -65.474
where: short stacking energy: -39.508
Base-Backbone interact. energy: -0.805
local terms energy: -63.320963
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -103.283705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.283705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.283705 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.004
local terms energy: -58.548879
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -102.231462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.231462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.231462 (E_RNA)
where:
Base-Base interactions energy: -44.728
where: short stacking energy: -44.728
Base-Backbone interact. energy: -0.002
local terms energy: -57.500935
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -7.138
flat angles P-C4'-P energy: -14.016
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: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -103.839549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.839549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.839549 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.095
local terms energy: -65.041976
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -94.205406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.205406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.205406 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -34.234
Base-Backbone interact. energy: -1.007
local terms energy: -52.171425
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -9.425
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: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -72.035969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.035969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.035969 (E_RNA)
where:
Base-Base interactions energy: -23.428
where: short stacking energy: -20.450
Base-Backbone interact. energy: -0.466
local terms energy: -48.141836
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 3.511
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: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -85.262049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.262049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.262049 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -28.813
Base-Backbone interact. energy: 1.167
local terms energy: -50.831253
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -7.051
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: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -202.120330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.120330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.120330 (E_RNA)
where:
Base-Base interactions energy: -126.050
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.046
local terms energy: -76.025180
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -199.513078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.513078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.513078 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.000
local terms energy: -79.764181
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -21.416
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: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -157.410063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.410063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.410063 (E_RNA)
where:
Base-Base interactions energy: -85.798
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.001
local terms energy: -71.611030
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -136.711177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.711177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.711177 (E_RNA)
where:
Base-Base interactions energy: -80.560
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.127
local terms energy: -56.024588
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -113.863853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.863853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.863853 (E_RNA)
where:
Base-Base interactions energy: -53.042
where: short stacking energy: -39.654
Base-Backbone interact. energy: 0.205
local terms energy: -61.027316
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -14.446
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: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -95.606071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606071 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.028
local terms energy: -59.901131
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -99.341387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341387 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -34.677
Base-Backbone interact. energy: 0.736
local terms energy: -52.852716
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -83.450046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450046 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -20.967
Base-Backbone interact. energy: 0.481
local terms energy: -42.446294
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: 2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -81.352939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.352939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.352939 (E_RNA)
where:
Base-Base interactions energy: -24.092
where: short stacking energy: -20.998
Base-Backbone interact. energy: -1.865
local terms energy: -55.396623
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.203007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203007 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -37.218
Base-Backbone interact. energy: -1.172
local terms energy: -45.386818
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -194.334529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.334529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.334529 (E_RNA)
where:
Base-Base interactions energy: -116.196
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.061
local terms energy: -78.077854
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -12.599
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: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -195.608446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.608446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.608446 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -69.624
Base-Backbone interact. energy: 0.644
local terms energy: -73.259011
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -157.653748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653748 (E_RNA)
where:
Base-Base interactions energy: -86.316
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.099
local terms energy: -71.238227
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -14.215
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: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -130.281046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.281046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.281046 (E_RNA)
where:
Base-Base interactions energy: -69.487
where: short stacking energy: -50.342
Base-Backbone interact. energy: -0.233
local terms energy: -60.561863
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -106.335282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.335282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.335282 (E_RNA)
where:
Base-Base interactions energy: -55.505
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.299
local terms energy: -50.531797
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -98.918521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.918521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.918521 (E_RNA)
where:
Base-Base interactions energy: -40.532
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.022
local terms energy: -58.365461
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -92.671075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.671075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.671075 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.305
local terms energy: -47.092835
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -4.115
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -84.803608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.803608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.803608 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.005
local terms energy: -57.105337
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -91.893488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893488 (E_RNA)
where:
Base-Base interactions energy: -38.658
where: short stacking energy: -34.736
Base-Backbone interact. energy: 0.717
local terms energy: -53.952718
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -95.980024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980024 (E_RNA)
where:
Base-Base interactions energy: -48.899
where: short stacking energy: -41.023
Base-Backbone interact. energy: -0.261
local terms energy: -46.819772
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -189.254552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254552 (E_RNA)
where:
Base-Base interactions energy: -120.355
where: short stacking energy: -69.297
Base-Backbone interact. energy: 0.165
local terms energy: -69.064755
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -198.518453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.518453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.518453 (E_RNA)
where:
Base-Base interactions energy: -116.331
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.006
local terms energy: -82.181173
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -21.190
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: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -147.345146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.345146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.345146 (E_RNA)
where:
Base-Base interactions energy: -80.523
where: short stacking energy: -52.278
Base-Backbone interact. energy: -0.004
local terms energy: -66.818021
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -119.820344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.820344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.820344 (E_RNA)
where:
Base-Base interactions energy: -54.972
where: short stacking energy: -39.419
Base-Backbone interact. energy: -0.592
local terms energy: -64.255430
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -10.252
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: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -103.713901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.713901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.713901 (E_RNA)
where:
Base-Base interactions energy: -49.029
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.378
local terms energy: -54.307286
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.273
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: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -90.762775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762775 (E_RNA)
where:
Base-Base interactions energy: -50.144
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.065
local terms energy: -40.554117
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -6.305
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -95.746486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.746486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.746486 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.013
local terms energy: -59.442677
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -96.321386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321386 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -41.061
Base-Backbone interact. energy: -0.000
local terms energy: -55.260595
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -10.516
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: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.070066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.070066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070066 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.300
local terms energy: -50.522119
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -76.926922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.926922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.926922 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.157
local terms energy: -48.917712
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -1.057
tors. eta vs tors. theta energy: -6.779
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -201.345801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.345801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.345801 (E_RNA)
where:
Base-Base interactions energy: -118.750
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.013
local terms energy: -82.583003
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -21.780
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: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -188.207513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.207513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.207513 (E_RNA)
where:
Base-Base interactions energy: -115.444
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.424
local terms energy: -72.339563
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -15.027
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: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -151.056024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.056024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.056024 (E_RNA)
where:
Base-Base interactions energy: -89.267
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.087
local terms energy: -61.701897
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -121.974790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.974790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.974790 (E_RNA)
where:
Base-Base interactions energy: -58.995
where: short stacking energy: -41.492
Base-Backbone interact. energy: -0.668
local terms energy: -62.311049
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -115.347723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.347723 (E_RNA)
where:
Base-Base interactions energy: -55.929
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.545
local terms energy: -58.873555
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -86.361251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.361251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.361251 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -30.529
Base-Backbone interact. energy: 0.558
local terms energy: -54.491642
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -85.828513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.828513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.828513 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -28.727
Base-Backbone interact. energy: -0.139
local terms energy: -52.485906
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -87.327860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327860 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.067
local terms energy: -55.143887
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -88.020730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.020730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.020730 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.144
local terms energy: -52.672182
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -79.307720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.307720 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.163
local terms energy: -50.404597
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -202.494336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.494336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.494336 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.057
local terms energy: -76.598952
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -20.483
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -196.082381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.082381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.082381 (E_RNA)
where:
Base-Base interactions energy: -116.187
where: short stacking energy: -65.710
Base-Backbone interact. energy: -1.413
local terms energy: -78.482638
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -154.675813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.675813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.675813 (E_RNA)
where:
Base-Base interactions energy: -85.958
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.020
local terms energy: -68.697931
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -120.536605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.536605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.536605 (E_RNA)
where:
Base-Base interactions energy: -55.667
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.018
local terms energy: -64.851771
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -100.867253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.867253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.867253 (E_RNA)
where:
Base-Base interactions energy: -43.786
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.024
local terms energy: -57.057423
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -97.367296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.367296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.367296 (E_RNA)
where:
Base-Base interactions energy: -44.568
where: short stacking energy: -26.394
Base-Backbone interact. energy: -0.083
local terms energy: -52.716885
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -89.997280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.997280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.997280 (E_RNA)
where:
Base-Base interactions energy: -31.438
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.100
local terms energy: -58.460037
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -101.158518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.158518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.158518 (E_RNA)
where:
Base-Base interactions energy: -53.592
where: short stacking energy: -30.955
Base-Backbone interact. energy: -1.127
local terms energy: -46.439858
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -77.743559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.743559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.743559 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.184
local terms energy: -44.805090
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -80.010472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.010472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.010472 (E_RNA)
where:
Base-Base interactions energy: -34.755
where: short stacking energy: -21.055
Base-Backbone interact. energy: -0.109
local terms energy: -45.145941
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -201.006114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.006114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.006114 (E_RNA)
where:
Base-Base interactions energy: -120.959
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.221
local terms energy: -79.825711
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.450
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: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -193.779063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.779063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.779063 (E_RNA)
where:
Base-Base interactions energy: -117.323
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.012
local terms energy: -76.444269
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -12.108
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: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -121.724304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.724304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.724304 (E_RNA)
where:
Base-Base interactions energy: -63.170
where: short stacking energy: -39.557
Base-Backbone interact. energy: -0.361
local terms energy: -58.193157
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -138.340806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.340806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.340806 (E_RNA)
where:
Base-Base interactions energy: -81.409
where: short stacking energy: -48.066
Base-Backbone interact. energy: 0.155
local terms energy: -57.087384
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -7.899
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -124.734777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.734777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.734777 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -42.863
Base-Backbone interact. energy: -0.028
local terms energy: -71.159964
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -101.339572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.339572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.339572 (E_RNA)
where:
Base-Base interactions energy: -37.427
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.125
local terms energy: -63.788219
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -9.448
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: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -97.536029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.536029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.536029 (E_RNA)
where:
Base-Base interactions energy: -43.360
where: short stacking energy: -32.265
Base-Backbone interact. energy: 0.691
local terms energy: -54.867305
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -85.190228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190228 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.952
local terms energy: -47.142739
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -96.766532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.766532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.766532 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -38.591
Base-Backbone interact. energy: -0.093
local terms energy: -58.081977
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -76.565235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.565235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.565235 (E_RNA)
where:
Base-Base interactions energy: -25.459
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.237
local terms energy: -50.869483
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -202.475412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.475412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.475412 (E_RNA)
where:
Base-Base interactions energy: -119.644
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.007
local terms energy: -82.824800
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -191.324843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.324843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.324843 (E_RNA)
where:
Base-Base interactions energy: -118.696
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.261
local terms energy: -72.367522
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -150.831326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.831326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.831326 (E_RNA)
where:
Base-Base interactions energy: -89.860
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.109
local terms energy: -60.863118
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -137.679859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.679859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.679859 (E_RNA)
where:
Base-Base interactions energy: -75.432
where: short stacking energy: -34.320
Base-Backbone interact. energy: -0.277
local terms energy: -61.970655
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -110.086177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.086177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.086177 (E_RNA)
where:
Base-Base interactions energy: -51.920
where: short stacking energy: -43.169
Base-Backbone interact. energy: -0.137
local terms energy: -58.029179
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.021
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: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -103.797762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797762 (E_RNA)
where:
Base-Base interactions energy: -51.650
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.296
local terms energy: -51.851484
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -2.680
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: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -96.125817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.125817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.125817 (E_RNA)
where:
Base-Base interactions energy: -41.375
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.586
local terms energy: -54.164562
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -8.904
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -81.207062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.207062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.207062 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -26.709
Base-Backbone interact. energy: -0.056
local terms energy: -49.611774
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -85.556448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.556448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.556448 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -22.210
Base-Backbone interact. energy: -0.305
local terms energy: -45.370958
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.506275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506275 (E_RNA)
where:
Base-Base interactions energy: -34.575
where: short stacking energy: -21.300
Base-Backbone interact. energy: -0.223
local terms energy: -45.708430
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -191.744399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.744399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.744399 (E_RNA)
where:
Base-Base interactions energy: -113.256
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.138
local terms energy: -78.349655
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -197.267114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267114 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.030
local terms energy: -76.907332
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -20.976
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -145.765638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.765638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.765638 (E_RNA)
where:
Base-Base interactions energy: -78.772
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.619
local terms energy: -66.374905
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -115.980617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.980617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.980617 (E_RNA)
where:
Base-Base interactions energy: -62.376
where: short stacking energy: -40.110
Base-Backbone interact. energy: -0.260
local terms energy: -53.345104
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -115.706888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.706888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.706888 (E_RNA)
where:
Base-Base interactions energy: -66.834
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.119
local terms energy: -48.754197
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -101.398779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398779 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.041
local terms energy: -65.169538
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -12.022
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -105.887057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.887057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.887057 (E_RNA)
where:
Base-Base interactions energy: -55.185
where: short stacking energy: -46.370
Base-Backbone interact. energy: -0.009
local terms energy: -50.692765
where:
bonds (distance) C4'-P energy: -7.071
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.417
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: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -89.157866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.157866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.157866 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.726
local terms energy: -51.462384
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -78.273227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.273227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.273227 (E_RNA)
where:
Base-Base interactions energy: -25.352
where: short stacking energy: -16.762
Base-Backbone interact. energy: -0.257
local terms energy: -52.663918
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -87.237867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.237867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.237867 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -27.211
Base-Backbone interact. energy: -0.123
local terms energy: -54.546988
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -7.624
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -194.895300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.895300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.895300 (E_RNA)
where:
Base-Base interactions energy: -120.077
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.300
local terms energy: -74.518317
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -198.475129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.475129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.475129 (E_RNA)
where:
Base-Base interactions energy: -120.345
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.013
local terms energy: -78.117030
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -153.982657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.982657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.982657 (E_RNA)
where:
Base-Base interactions energy: -86.146
where: short stacking energy: -52.311
Base-Backbone interact. energy: 0.264
local terms energy: -68.100936
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.074
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: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -122.610915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.610915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.610915 (E_RNA)
where:
Base-Base interactions energy: -53.091
where: short stacking energy: -48.793
Base-Backbone interact. energy: 0.511
local terms energy: -70.030147
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.673
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: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -108.830773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.830773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.830773 (E_RNA)
where:
Base-Base interactions energy: -60.995
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.714
local terms energy: -47.121372
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -97.350359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350359 (E_RNA)
where:
Base-Base interactions energy: -47.091
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.601
local terms energy: -49.658869
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -92.559376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.559376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.559376 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -38.887
Base-Backbone interact. energy: -0.088
local terms energy: -49.823897
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -6.980
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: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -96.590128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590128 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.120
local terms energy: -54.550288
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -90.803870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803870 (E_RNA)
where:
Base-Base interactions energy: -34.568
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.215
local terms energy: -56.020740
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -72.248134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248134 (E_RNA)
where:
Base-Base interactions energy: -25.096
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.116
local terms energy: -47.035738
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -208.913120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913120 (E_RNA)
where:
Base-Base interactions energy: -131.577
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.427
local terms energy: -76.909458
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -194.459827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459827 (E_RNA)
where:
Base-Base interactions energy: -114.702
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.080
local terms energy: -79.677756
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -144.987545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.987545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.987545 (E_RNA)
where:
Base-Base interactions energy: -85.293
where: short stacking energy: -44.123
Base-Backbone interact. energy: -0.042
local terms energy: -59.652557
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -129.123222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.123222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.123222 (E_RNA)
where:
Base-Base interactions energy: -75.979
where: short stacking energy: -50.381
Base-Backbone interact. energy: -0.220
local terms energy: -52.924636
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -107.268514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.268514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.268514 (E_RNA)
where:
Base-Base interactions energy: -49.768
where: short stacking energy: -44.333
Base-Backbone interact. energy: 0.534
local terms energy: -58.035145
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -114.719398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.719398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.719398 (E_RNA)
where:
Base-Base interactions energy: -49.468
where: short stacking energy: -37.693
Base-Backbone interact. energy: -0.092
local terms energy: -65.159451
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -96.331076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.331076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.331076 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -26.163
Base-Backbone interact. energy: -1.588
local terms energy: -54.522159
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -78.103585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.103585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.103585 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.215
local terms energy: -47.614330
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -81.814840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814840 (E_RNA)
where:
Base-Base interactions energy: -29.708
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.103
local terms energy: -52.004611
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.997
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: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.504636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.504636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.504636 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.135
local terms energy: -49.707019
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -213.169437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.169437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.169437 (E_RNA)
where:
Base-Base interactions energy: -133.159
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.108
local terms energy: -79.902357
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -188.424764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.424764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.424764 (E_RNA)
where:
Base-Base interactions energy: -114.286
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.002
local terms energy: -74.136904
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -19.073
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: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -146.612454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.612454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.612454 (E_RNA)
where:
Base-Base interactions energy: -82.582
where: short stacking energy: -48.223
Base-Backbone interact. energy: -0.019
local terms energy: -64.011392
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -111.691675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.691675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.691675 (E_RNA)
where:
Base-Base interactions energy: -51.335
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.005
local terms energy: -60.351433
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -8.118
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: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -94.098186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098186 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -38.414
Base-Backbone interact. energy: -0.163
local terms energy: -55.205715
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.499
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: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -95.500317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.500317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.500317 (E_RNA)
where:
Base-Base interactions energy: -36.427
where: short stacking energy: -36.427
Base-Backbone interact. energy: -0.221
local terms energy: -58.852388
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -97.066359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.066359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.066359 (E_RNA)
where:
Base-Base interactions energy: -47.747
where: short stacking energy: -33.320
Base-Backbone interact. energy: -0.238
local terms energy: -49.081797
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.195
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: 197
Temperature: 1.250000
Total energy: -88.993777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993777 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -22.090
Base-Backbone interact. energy: -1.533
local terms energy: -47.717142
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -81.021605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021605 (E_RNA)
where:
Base-Base interactions energy: -28.067
where: short stacking energy: -23.450
Base-Backbone interact. energy: -0.343
local terms energy: -52.611679
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -77.042192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.042192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.042192 (E_RNA)
where:
Base-Base interactions energy: -26.604
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.315
local terms energy: -50.123517
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -0.815
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: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -212.296254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.296254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.296254 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.441
local terms energy: -80.143770
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -203.406517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.406517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.406517 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -79.756
Base-Backbone interact. energy: -0.201
local terms energy: -77.209050
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -150.242299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.242299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.242299 (E_RNA)
where:
Base-Base interactions energy: -82.364
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.009
local terms energy: -67.869649
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -106.068795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.068795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.068795 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.096
local terms energy: -69.221432
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -5.627
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: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -120.608571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.608571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.608571 (E_RNA)
where:
Base-Base interactions energy: -55.370
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.007
local terms energy: -65.231516
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.579
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: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -97.236200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.236200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.236200 (E_RNA)
where:
Base-Base interactions energy: -51.172
where: short stacking energy: -35.344
Base-Backbone interact. energy: 0.752
local terms energy: -46.816825
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -102.597064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.597064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.597064 (E_RNA)
where:
Base-Base interactions energy: -45.867
where: short stacking energy: -38.194
Base-Backbone interact. energy: -0.157
local terms energy: -56.573521
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.049
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: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -96.578656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.578656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.578656 (E_RNA)
where:
Base-Base interactions energy: -35.790
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.050
local terms energy: -60.738256
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -84.149669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.149669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.149669 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -31.856
Base-Backbone interact. energy: 0.545
local terms energy: -44.844753
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -86.870311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870311 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.163
local terms energy: -51.467877
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -203.740085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.740085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.740085 (E_RNA)
where:
Base-Base interactions energy: -129.866
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.085
local terms energy: -73.789116
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -189.852450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.852450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.852450 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.012
local terms energy: -71.759616
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.770
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: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -111.707021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.707021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.707021 (E_RNA)
where:
Base-Base interactions energy: -50.369
where: short stacking energy: -47.798
Base-Backbone interact. energy: -0.412
local terms energy: -60.926774
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -130.314257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.314257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.314257 (E_RNA)
where:
Base-Base interactions energy: -68.205
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.519
local terms energy: -61.590937
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -91.157923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157923 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -37.052
Base-Backbone interact. energy: -0.182
local terms energy: -53.923965
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -8.959
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: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -96.091936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.091936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.091936 (E_RNA)
where:
Base-Base interactions energy: -52.060
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.198
local terms energy: -43.833874
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -2.855
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -7.796
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: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -95.842707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.842707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.842707 (E_RNA)
where:
Base-Base interactions energy: -46.764
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.187
local terms energy: -48.891840
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -2.635
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: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -102.136833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.136833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.136833 (E_RNA)
where:
Base-Base interactions energy: -51.100
where: short stacking energy: -33.481
Base-Backbone interact. energy: 1.647
local terms energy: -52.683561
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -10.108
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.944966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.944966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.944966 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -24.094
Base-Backbone interact. energy: -0.304
local terms energy: -46.754575
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.627
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: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -84.835252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835252 (E_RNA)
where:
Base-Base interactions energy: -32.658
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.156
local terms energy: -52.021648
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -198.347946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.347946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.347946 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.097
local terms energy: -79.669464
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -21.834
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: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -194.061977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.061977 (E_RNA)
where:
Base-Base interactions energy: -118.569
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.009
local terms energy: -75.484398
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.049
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: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -138.251513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.251513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.251513 (E_RNA)
where:
Base-Base interactions energy: -66.189
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.036
local terms energy: -72.026989
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -16.035
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: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -125.824452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.824452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.824452 (E_RNA)
where:
Base-Base interactions energy: -56.661
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.063
local terms energy: -69.101231
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -118.863107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.863107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.863107 (E_RNA)
where:
Base-Base interactions energy: -58.493
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.157
local terms energy: -60.213158
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -102.196725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.196725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.196725 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -31.058
Base-Backbone interact. energy: -0.085
local terms energy: -61.444077
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -86.418980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418980 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -30.361
Base-Backbone interact. energy: -0.156
local terms energy: -55.787437
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -5.293
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: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -97.459445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.459445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.459445 (E_RNA)
where:
Base-Base interactions energy: -45.203
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.188
local terms energy: -52.067867
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.624
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: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -93.544227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.544227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.544227 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.222
local terms energy: -54.270681
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.166
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -67.615620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.615620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.615620 (E_RNA)
where:
Base-Base interactions energy: -20.171
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.202
local terms energy: -47.243057
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -196.085023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.085023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.085023 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.019
local terms energy: -77.656611
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -199.134455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134455 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.394
local terms energy: -81.052475
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -22.849
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: 201
Temperature: 1.000000
Total energy: -122.938729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.938729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.938729 (E_RNA)
where:
Base-Base interactions energy: -61.161
where: short stacking energy: -41.545
Base-Backbone interact. energy: -0.116
local terms energy: -61.661762
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -128.726506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.726506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.726506 (E_RNA)
where:
Base-Base interactions energy: -64.934
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.042
local terms energy: -63.750650
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -10.116
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: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -110.235680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.235680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.235680 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -45.190
Base-Backbone interact. energy: -0.001
local terms energy: -65.044936
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -98.358937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.358937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.358937 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -32.138
Base-Backbone interact. energy: 0.207
local terms energy: -56.194140
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -90.888343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.888343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.888343 (E_RNA)
where:
Base-Base interactions energy: -34.595
where: short stacking energy: -34.595
Base-Backbone interact. energy: -0.193
local terms energy: -56.100636
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -4.236
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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -84.366609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.366609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.366609 (E_RNA)
where:
Base-Base interactions energy: -33.188
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.113
local terms energy: -51.065240
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -80.573504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573504 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.214
local terms energy: -46.926595
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -82.747661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.747661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.747661 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.054
local terms energy: -45.275243
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -196.929803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.929803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.929803 (E_RNA)
where:
Base-Base interactions energy: -118.268
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.043
local terms energy: -78.619336
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -19.218
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -199.457274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.457274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.457274 (E_RNA)
where:
Base-Base interactions energy: -123.377
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.069
local terms energy: -76.011194
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -121.691049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.691049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.691049 (E_RNA)
where:
Base-Base interactions energy: -53.525
where: short stacking energy: -48.676
Base-Backbone interact. energy: 0.004
local terms energy: -68.170051
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -110.673872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.673872 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.033
local terms energy: -58.852129
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -106.349010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.349010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.349010 (E_RNA)
where:
Base-Base interactions energy: -45.591
where: short stacking energy: -37.432
Base-Backbone interact. energy: -0.006
local terms energy: -60.751959
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -101.351179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.351179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.351179 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.724
local terms energy: -60.780645
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -91.379351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.379351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.379351 (E_RNA)
where:
Base-Base interactions energy: -44.998
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.116
local terms energy: -46.265150
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -7.144
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: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -88.540811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540811 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -25.064
Base-Backbone interact. energy: 0.026
local terms energy: -42.425718
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -76.818417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818417 (E_RNA)
where:
Base-Base interactions energy: -24.374
where: short stacking energy: -21.671
Base-Backbone interact. energy: -0.629
local terms energy: -51.815689
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -73.821070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.821070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.821070 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -19.218
Base-Backbone interact. energy: 0.304
local terms energy: -46.010966
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.691
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: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -200.225195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.225195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.225195 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -74.687
Base-Backbone interact. energy: -0.032
local terms energy: -79.140081
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -22.016
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -187.040104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.040104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.040104 (E_RNA)
where:
Base-Base interactions energy: -112.535
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.040
local terms energy: -74.465367
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -121.392235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.392235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.392235 (E_RNA)
where:
Base-Base interactions energy: -55.738
where: short stacking energy: -43.782
Base-Backbone interact. energy: 0.148
local terms energy: -65.801742
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -7.950
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: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -118.838165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.838165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.838165 (E_RNA)
where:
Base-Base interactions energy: -62.214
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.029
local terms energy: -56.594808
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -6.887
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: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -96.025937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.025937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.025937 (E_RNA)
where:
Base-Base interactions energy: -36.783
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.625
local terms energy: -58.617829
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -106.436670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.436670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.436670 (E_RNA)
where:
Base-Base interactions energy: -56.563
where: short stacking energy: -40.568
Base-Backbone interact. energy: -0.069
local terms energy: -49.804792
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -90.626180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626180 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -33.223
Base-Backbone interact. energy: 1.186
local terms energy: -55.858300
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -88.740588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.740588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.740588 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -36.420
Base-Backbone interact. energy: 0.009
local terms energy: -51.060307
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -89.617318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617318 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.053
local terms energy: -52.909458
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -77.928921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928921 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -23.913
Base-Backbone interact. energy: -0.086
local terms energy: -44.588924
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: 0.967
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -186.037460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.037460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.037460 (E_RNA)
where:
Base-Base interactions energy: -111.756
where: short stacking energy: -63.083
Base-Backbone interact. energy: 1.710
local terms energy: -75.991018
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -192.309857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.309857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.309857 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -73.893
Base-Backbone interact. energy: 0.907
local terms energy: -73.389286
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -122.948399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.948399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.948399 (E_RNA)
where:
Base-Base interactions energy: -60.561
where: short stacking energy: -43.847
Base-Backbone interact. energy: -0.029
local terms energy: -62.358419
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -107.893248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.893248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.893248 (E_RNA)
where:
Base-Base interactions energy: -45.718
where: short stacking energy: -42.428
Base-Backbone interact. energy: -0.007
local terms energy: -62.168160
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -130.417859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.417859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.417859 (E_RNA)
where:
Base-Base interactions energy: -73.354
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.248
local terms energy: -56.815829
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -6.394
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: 204
Temperature: 1.150000
Total energy: -111.576989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.576989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.576989 (E_RNA)
where:
Base-Base interactions energy: -50.059
where: short stacking energy: -23.571
Base-Backbone interact. energy: -0.966
local terms energy: -60.551645
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -104.819183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.819183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.819183 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -38.104
Base-Backbone interact. energy: 0.925
local terms energy: -54.919953
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.053
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: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.449466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.449466 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.028
local terms energy: -58.720365
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -78.569546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569546 (E_RNA)
where:
Base-Base interactions energy: -29.212
where: short stacking energy: -27.799
Base-Backbone interact. energy: 0.184
local terms energy: -49.541766
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -5.080
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: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -81.785090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785090 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.590
local terms energy: -49.431696
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -189.672897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.672897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.672897 (E_RNA)
where:
Base-Base interactions energy: -114.031
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.043
local terms energy: -75.598318
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -192.081400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081400 (E_RNA)
where:
Base-Base interactions energy: -124.778
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.282
local terms energy: -67.021904
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -13.817
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: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -115.530355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.530355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.530355 (E_RNA)
where:
Base-Base interactions energy: -48.925
where: short stacking energy: -48.925
Base-Backbone interact. energy: -0.008
local terms energy: -66.597579
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -129.483333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.483333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.483333 (E_RNA)
where:
Base-Base interactions energy: -74.029
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.199
local terms energy: -55.255315
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -104.078699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.078699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.078699 (E_RNA)
where:
Base-Base interactions energy: -55.162
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.394
local terms energy: -48.522838
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -101.896637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.896637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.896637 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.186
local terms energy: -53.534472
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -92.863340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.863340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.863340 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -31.781
Base-Backbone interact. energy: 0.544
local terms energy: -53.611574
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -4.892
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: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -82.850501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.850501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.850501 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.518
local terms energy: -44.825500
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -7.880
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -81.124054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.124054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.124054 (E_RNA)
where:
Base-Base interactions energy: -26.873
where: short stacking energy: -26.873
Base-Backbone interact. energy: 0.781
local terms energy: -55.032278
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -70.647302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.647302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.647302 (E_RNA)
where:
Base-Base interactions energy: -23.295
where: short stacking energy: -23.295
Base-Backbone interact. energy: -0.276
local terms energy: -47.076695
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -193.965080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.965080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.965080 (E_RNA)
where:
Base-Base interactions energy: -118.593
where: short stacking energy: -68.256
Base-Backbone interact. energy: 2.081
local terms energy: -77.453408
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -18.159
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: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -197.815068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.815068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.815068 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -73.767
Base-Backbone interact. energy: -0.000
local terms energy: -77.892944
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -141.591955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.591955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.591955 (E_RNA)
where:
Base-Base interactions energy: -70.756
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.675
local terms energy: -70.160969
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -115.309161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.309161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309161 (E_RNA)
where:
Base-Base interactions energy: -45.153
where: short stacking energy: -45.153
Base-Backbone interact. energy: -0.035
local terms energy: -70.122073
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -109.089754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.089754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.089754 (E_RNA)
where:
Base-Base interactions energy: -59.374
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.149
local terms energy: -49.566624
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -94.137165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.137165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.137165 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -33.815
Base-Backbone interact. energy: 0.962
local terms energy: -61.283845
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -7.950
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: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -91.154676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.154676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.154676 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.014
local terms energy: -55.550323
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -8.264
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: 206
Temperature: 1.250000
Total energy: -98.532610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.532610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.532610 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -32.707
Base-Backbone interact. energy: -0.508
local terms energy: -54.555578
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -6.558
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -72.678710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.678710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.678710 (E_RNA)
where:
Base-Base interactions energy: -22.011
where: short stacking energy: -20.760
Base-Backbone interact. energy: -0.329
local terms energy: -50.338979
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -77.775470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775470 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.093
local terms energy: -42.262844
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -194.118082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.118082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.118082 (E_RNA)
where:
Base-Base interactions energy: -122.440
where: short stacking energy: -70.423
Base-Backbone interact. energy: -0.262
local terms energy: -71.415549
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -193.085473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085473 (E_RNA)
where:
Base-Base interactions energy: -117.502
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.029
local terms energy: -75.554261
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -130.417442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.417442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.417442 (E_RNA)
where:
Base-Base interactions energy: -71.876
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.170
local terms energy: -58.371243
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -110.176552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.176552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.176552 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.373
local terms energy: -60.360564
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -8.516
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -125.087208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.087208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.087208 (E_RNA)
where:
Base-Base interactions energy: -56.023
where: short stacking energy: -51.724
Base-Backbone interact. energy: 0.246
local terms energy: -69.309866
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -90.246745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.246745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.246745 (E_RNA)
where:
Base-Base interactions energy: -38.241
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.007
local terms energy: -51.998913
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -10.402
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: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -93.309765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.309765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.309765 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -39.631
Base-Backbone interact. energy: -0.125
local terms energy: -53.553209
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -99.157313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157313 (E_RNA)
where:
Base-Base interactions energy: -44.820
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.525
local terms energy: -53.812132
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -73.298929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.298929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.298929 (E_RNA)
where:
Base-Base interactions energy: -26.056
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.427
local terms energy: -46.815780
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -87.597965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.597965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.597965 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -32.333
Base-Backbone interact. energy: 0.781
local terms energy: -56.046258
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -191.480660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.480660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.480660 (E_RNA)
where:
Base-Base interactions energy: -115.594
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.083
local terms energy: -75.802997
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -187.958419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.958419 (E_RNA)
where:
Base-Base interactions energy: -112.368
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.022
local terms energy: -75.568996
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -162.608504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.608504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.608504 (E_RNA)
where:
Base-Base interactions energy: -95.271
where: short stacking energy: -53.789
Base-Backbone interact. energy: -1.019
local terms energy: -66.318491
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.081
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: 208
Temperature: 1.050000
Total energy: -135.132948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.132948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.132948 (E_RNA)
where:
Base-Base interactions energy: -72.631
where: short stacking energy: -54.228
Base-Backbone interact. energy: -0.085
local terms energy: -62.416725
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.441
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -106.524887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.524887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.524887 (E_RNA)
where:
Base-Base interactions energy: -45.172
where: short stacking energy: -42.167
Base-Backbone interact. energy: -0.135
local terms energy: -61.218359
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -91.329297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.329297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.329297 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -39.060
Base-Backbone interact. energy: -0.097
local terms energy: -52.171403
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -1.698
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: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -105.430095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.430095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.430095 (E_RNA)
where:
Base-Base interactions energy: -43.993
where: short stacking energy: -41.327
Base-Backbone interact. energy: -0.071
local terms energy: -61.366036
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -82.000820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.000820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.000820 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -31.636
Base-Backbone interact. energy: -0.161
local terms energy: -48.819640
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.073
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: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -99.200794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.200794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.200794 (E_RNA)
where:
Base-Base interactions energy: -49.376
where: short stacking energy: -32.837
Base-Backbone interact. energy: 2.024
local terms energy: -51.848834
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -8.298
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: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -90.414737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414737 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.116
local terms energy: -59.185567
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.137
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: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -206.870188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.870188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.870188 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -78.538
Base-Backbone interact. energy: -0.024
local terms energy: -78.712582
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -204.627292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627292 (E_RNA)
where:
Base-Base interactions energy: -128.581
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.299
local terms energy: -75.746808
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -168.494760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.494760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.494760 (E_RNA)
where:
Base-Base interactions energy: -99.950
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.563
local terms energy: -67.981460
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -116.693513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.693513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.693513 (E_RNA)
where:
Base-Base interactions energy: -54.794
where: short stacking energy: -42.075
Base-Backbone interact. energy: -0.116
local terms energy: -61.783568
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -7.492
flat angles P-C4'-P energy: -10.707
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: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -122.761990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.761990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.761990 (E_RNA)
where:
Base-Base interactions energy: -63.245
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.032
local terms energy: -59.484591
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -94.734175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.734175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.734175 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.020
local terms energy: -61.105837
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -12.179
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: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -90.989607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.989607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.989607 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.145
local terms energy: -57.250014
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -87.157194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.157194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.157194 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.141
local terms energy: -54.942729
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -92.020502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.020502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.020502 (E_RNA)
where:
Base-Base interactions energy: -45.677
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.743
local terms energy: -45.600816
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -5.061
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -66.112089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.112089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.112089 (E_RNA)
where:
Base-Base interactions energy: -23.907
where: short stacking energy: -18.283
Base-Backbone interact. energy: 0.287
local terms energy: -42.491802
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: 4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -207.470922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470922 (E_RNA)
where:
Base-Base interactions energy: -130.273
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.178
local terms energy: -77.020568
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -18.705
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: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -213.888170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.888170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.888170 (E_RNA)
where:
Base-Base interactions energy: -138.850
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.500
local terms energy: -74.537936
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.379
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: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -183.284409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.284409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.284409 (E_RNA)
where:
Base-Base interactions energy: -112.358
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.585
local terms energy: -70.341342
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -108.981537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.981537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.981537 (E_RNA)
where:
Base-Base interactions energy: -53.781
where: short stacking energy: -44.747
Base-Backbone interact. energy: 1.481
local terms energy: -56.681346
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -108.627101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.627101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.627101 (E_RNA)
where:
Base-Base interactions energy: -50.269
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.102
local terms energy: -58.256001
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -5.839
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: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -89.059545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059545 (E_RNA)
where:
Base-Base interactions energy: -29.174
where: short stacking energy: -29.174
Base-Backbone interact. energy: -0.181
local terms energy: -59.704535
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -86.755406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755406 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.190
local terms energy: -53.366112
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -84.651672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.651672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.651672 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -24.220
Base-Backbone interact. energy: -0.311
local terms energy: -53.699643
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -11.550
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: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -86.784598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.784598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.784598 (E_RNA)
where:
Base-Base interactions energy: -39.226
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.219
local terms energy: -47.339812
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: 2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -72.275010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.275010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.275010 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -25.620
Base-Backbone interact. energy: -0.139
local terms energy: -42.973176
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: 0.300
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -206.871266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.871266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.871266 (E_RNA)
where:
Base-Base interactions energy: -133.474
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.120
local terms energy: -73.278040
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -199.600439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.600439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.600439 (E_RNA)
where:
Base-Base interactions energy: -137.809
where: short stacking energy: -50.168
Base-Backbone interact. energy: -0.933
local terms energy: -60.859047
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -8.693
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: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -186.928156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.928156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.928156 (E_RNA)
where:
Base-Base interactions energy: -112.464
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.516
local terms energy: -73.947979
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.361
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -116.118464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.118464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.118464 (E_RNA)
where:
Base-Base interactions energy: -60.345
where: short stacking energy: -48.248
Base-Backbone interact. energy: -0.730
local terms energy: -55.043315
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -92.244326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.244326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.244326 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -33.060
Base-Backbone interact. energy: -0.124
local terms energy: -59.061161
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -99.799274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.799274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.799274 (E_RNA)
where:
Base-Base interactions energy: -52.000
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.038
local terms energy: -47.761077
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -5.298
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -130.915974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.915974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.915974 (E_RNA)
where:
Base-Base interactions energy: -65.785
where: short stacking energy: -41.525
Base-Backbone interact. energy: -0.068
local terms energy: -65.063430
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -83.695957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695957 (E_RNA)
where:
Base-Base interactions energy: -24.337
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.826
local terms energy: -58.532503
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -91.943629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943629 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.049
local terms energy: -60.626079
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -7.292
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: 211
Temperature: 1.350000
Total energy: -74.250138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.250138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.250138 (E_RNA)
where:
Base-Base interactions energy: -19.244
where: short stacking energy: -18.259
Base-Backbone interact. energy: -0.270
local terms energy: -54.736115
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -4.027
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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -208.350891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.350891 (E_RNA)
where:
Base-Base interactions energy: -134.581
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.033
local terms energy: -73.736499
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.975
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -195.881605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.881605 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.130
local terms energy: -72.166426
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -180.231464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.231464 (E_RNA)
where:
Base-Base interactions energy: -110.363
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.652
local terms energy: -69.216190
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -10.901
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -130.495753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.495753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.495753 (E_RNA)
where:
Base-Base interactions energy: -62.616
where: short stacking energy: -53.728
Base-Backbone interact. energy: -0.962
local terms energy: -66.917752
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -101.683381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.683381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.683381 (E_RNA)
where:
Base-Base interactions energy: -43.595
where: short stacking energy: -43.595
Base-Backbone interact. energy: -0.048
local terms energy: -58.040135
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -101.760451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.760451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.760451 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.118
local terms energy: -63.742931
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -105.482807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.482807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.482807 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -19.332
Base-Backbone interact. energy: -0.013
local terms energy: -62.522309
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -99.596314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.596314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.596314 (E_RNA)
where:
Base-Base interactions energy: -42.812
where: short stacking energy: -23.729
Base-Backbone interact. energy: -0.053
local terms energy: -56.731406
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.182518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182518 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -28.155
Base-Backbone interact. energy: -0.168
local terms energy: -53.424729
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -6.183
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: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -81.074191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074191 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -28.031
Base-Backbone interact. energy: 0.944
local terms energy: -41.350651
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -4.501
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: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -213.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.826426 (E_RNA)
where:
Base-Base interactions energy: -140.502
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.046
local terms energy: -73.278041
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -189.239536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.239536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.239536 (E_RNA)
where:
Base-Base interactions energy: -119.356
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.069
local terms energy: -69.814434
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -19.973
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: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -180.329823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.329823 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.047
local terms energy: -69.790924
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -122.518623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.518623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.518623 (E_RNA)
where:
Base-Base interactions energy: -71.676
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.213
local terms energy: -50.629991
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -3.972
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -103.693973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.693973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.693973 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -43.170
Base-Backbone interact. energy: -0.082
local terms energy: -60.442328
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -5.040
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -118.228186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.228186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.228186 (E_RNA)
where:
Base-Base interactions energy: -59.095
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.286
local terms energy: -58.848127
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -11.256
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -93.955532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.955532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.955532 (E_RNA)
where:
Base-Base interactions energy: -51.605
where: short stacking energy: -36.811
Base-Backbone interact. energy: -0.943
local terms energy: -41.407139
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -4.501
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: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -89.031194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031194 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.134
local terms energy: -54.828790
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -77.165771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.165771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.165771 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.294
local terms energy: -47.419088
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -78.830950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.830950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.830950 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -32.582
Base-Backbone interact. energy: -0.568
local terms energy: -43.282166
where:
bonds (distance) C4'-P energy: -4.293
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.127
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: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -211.137819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.137819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.137819 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -67.021
Base-Backbone interact. energy: -0.181
local terms energy: -77.385351
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.780
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: 214
Temperature: 0.950000
Total energy: -192.049680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.049680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.049680 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.005
local terms energy: -77.092612
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -193.812280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.812280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.812280 (E_RNA)
where:
Base-Base interactions energy: -119.883
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.001
local terms energy: -73.927544
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -115.659127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.659127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.659127 (E_RNA)
where:
Base-Base interactions energy: -55.231
where: short stacking energy: -35.513
Base-Backbone interact. energy: 0.256
local terms energy: -60.683661
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -109.020722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.020722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.020722 (E_RNA)
where:
Base-Base interactions energy: -48.215
where: short stacking energy: -48.215
Base-Backbone interact. energy: -0.758
local terms energy: -60.047569
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -107.161384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.161384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.161384 (E_RNA)
where:
Base-Base interactions energy: -48.623
where: short stacking energy: -41.409
Base-Backbone interact. energy: 0.998
local terms energy: -59.536210
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -97.316408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316408 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.237
local terms energy: -55.771919
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -11.627
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: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -81.232556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232556 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -16.694
Base-Backbone interact. energy: -0.322
local terms energy: -43.503515
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -84.700677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.700677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.700677 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -22.889
Base-Backbone interact. energy: -0.497
local terms energy: -53.011948
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -2.033
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -81.343485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343485 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.091
local terms energy: -46.062335
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -208.643249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.643249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.643249 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -62.853
Base-Backbone interact. energy: 0.517
local terms energy: -80.034593
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -182.795068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.795068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.795068 (E_RNA)
where:
Base-Base interactions energy: -119.351
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.022
local terms energy: -63.421987
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -191.090029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.090029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.090029 (E_RNA)
where:
Base-Base interactions energy: -120.240
where: short stacking energy: -66.387
Base-Backbone interact. energy: -1.907
local terms energy: -68.942379
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -112.040625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.040625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.040625 (E_RNA)
where:
Base-Base interactions energy: -48.731
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.653
local terms energy: -62.656029
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -9.935
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -100.255797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.255797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.255797 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -42.638
Base-Backbone interact. energy: -0.025
local terms energy: -55.810623
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -97.846452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.846452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.846452 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.347
local terms energy: -60.393785
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -107.237152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.237152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.237152 (E_RNA)
where:
Base-Base interactions energy: -49.578
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.039
local terms energy: -57.620469
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.287
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: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -91.285299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285299 (E_RNA)
where:
Base-Base interactions energy: -40.395
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.615
local terms energy: -50.275052
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -92.483331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.483331 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.015
local terms energy: -55.231775
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -79.297879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.297879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.297879 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -20.329
Base-Backbone interact. energy: 0.071
local terms energy: -49.619092
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -203.647938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.647938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.647938 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -70.506
Base-Backbone interact. energy: -1.138
local terms energy: -79.657418
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -188.557162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.557162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.557162 (E_RNA)
where:
Base-Base interactions energy: -112.575
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.006
local terms energy: -75.976671
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -16.760
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: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -185.016405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.016405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.016405 (E_RNA)
where:
Base-Base interactions energy: -113.889
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.033
local terms energy: -71.094913
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -126.996402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.996402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.996402 (E_RNA)
where:
Base-Base interactions energy: -67.922
where: short stacking energy: -45.599
Base-Backbone interact. energy: -0.066
local terms energy: -59.007929
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -118.387938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.387938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.387938 (E_RNA)
where:
Base-Base interactions energy: -59.026
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.013
local terms energy: -59.349071
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -10.759
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: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -102.545265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.545265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.545265 (E_RNA)
where:
Base-Base interactions energy: -48.546
where: short stacking energy: -46.180
Base-Backbone interact. energy: 0.332
local terms energy: -54.331455
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -97.463125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.463125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.463125 (E_RNA)
where:
Base-Base interactions energy: -47.308
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.082
local terms energy: -50.073770
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -7.118
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -100.277058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.277058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.277058 (E_RNA)
where:
Base-Base interactions energy: -46.874
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.109
local terms energy: -53.294214
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -83.809034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809034 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -29.324
Base-Backbone interact. energy: 0.084
local terms energy: -53.366413
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -87.681239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681239 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -31.807
Base-Backbone interact. energy: 1.119
local terms energy: -53.971657
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -7.036
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: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -197.267001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267001 (E_RNA)
where:
Base-Base interactions energy: -125.278
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.033
local terms energy: -71.955404
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.853
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -181.849722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.849722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.849722 (E_RNA)
where:
Base-Base interactions energy: -112.560
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.024
local terms energy: -69.265763
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.669
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: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -187.705743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.705743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.705743 (E_RNA)
where:
Base-Base interactions energy: -111.464
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.733
local terms energy: -75.508849
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -102.428372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.428372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.428372 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.153
local terms energy: -61.805497
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -9.877
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: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -98.527226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.527226 (E_RNA)
where:
Base-Base interactions energy: -46.462
where: short stacking energy: -41.521
Base-Backbone interact. energy: -0.040
local terms energy: -52.024721
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -4.286
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -99.796151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.796151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.796151 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -27.618
Base-Backbone interact. energy: -0.292
local terms energy: -53.311838
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -8.380
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -97.343759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.343759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.343759 (E_RNA)
where:
Base-Base interactions energy: -38.968
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.041
local terms energy: -58.334849
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.641
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: 217
Temperature: 1.250000
Total energy: -89.221793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221793 (E_RNA)
where:
Base-Base interactions energy: -46.110
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.039
local terms energy: -43.072725
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -82.863185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.863185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.863185 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -30.383
Base-Backbone interact. energy: -0.023
local terms energy: -49.347956
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -10.322
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: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -84.769796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.769796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.769796 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -23.119
Base-Backbone interact. energy: -0.129
local terms energy: -57.154292
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.175
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: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -199.101923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101923 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.003
local terms energy: -78.809905
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.845
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: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -206.183341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.183341 (E_RNA)
where:
Base-Base interactions energy: -126.786
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.966
local terms energy: -78.431291
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -115.663417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.663417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.663417 (E_RNA)
where:
Base-Base interactions energy: -47.337
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.002
local terms energy: -68.324562
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -184.346402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346402 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -71.185
Base-Backbone interact. energy: 0.148
local terms energy: -68.832722
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -96.838233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.838233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.838233 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.546
local terms energy: -57.994184
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.104
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: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -110.369852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.369852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.369852 (E_RNA)
where:
Base-Base interactions energy: -46.308
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.007
local terms energy: -64.055229
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -104.440913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.440913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.440913 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -37.814
Base-Backbone interact. energy: -0.054
local terms energy: -65.520352
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -7.919
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: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -84.811167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.811167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.811167 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.198
local terms energy: -44.244946
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -79.153933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.153933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.153933 (E_RNA)
where:
Base-Base interactions energy: -24.585
where: short stacking energy: -24.565
Base-Backbone interact. energy: 0.412
local terms energy: -54.981361
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -75.451162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.451162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.451162 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.152
local terms energy: -45.167826
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -8.424
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: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -203.373787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373787 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.032
local terms energy: -77.035736
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -179.103345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.103345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.103345 (E_RNA)
where:
Base-Base interactions energy: -108.291
where: short stacking energy: -48.297
Base-Backbone interact. energy: -0.104
local terms energy: -70.707809
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -128.056121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.056121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.056121 (E_RNA)
where:
Base-Base interactions energy: -67.348
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.859
local terms energy: -59.849132
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -6.074
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -181.319633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.319633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.319633 (E_RNA)
where:
Base-Base interactions energy: -117.226
where: short stacking energy: -56.939
Base-Backbone interact. energy: 1.912
local terms energy: -66.006162
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -103.474372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.474372 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -24.605
Base-Backbone interact. energy: -0.630
local terms energy: -51.593593
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -92.775933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.775933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.775933 (E_RNA)
where:
Base-Base interactions energy: -36.987
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.135
local terms energy: -55.654102
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -95.280698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.280698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.280698 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.152
local terms energy: -57.874605
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -79.260023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.260023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.260023 (E_RNA)
where:
Base-Base interactions energy: -31.162
where: short stacking energy: -31.162
Base-Backbone interact. energy: -0.082
local terms energy: -48.016005
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -90.366275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.366275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.366275 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -40.977
Base-Backbone interact. energy: 0.304
local terms energy: -49.356272
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -69.374782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.374782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.374782 (E_RNA)
where:
Base-Base interactions energy: -25.778
where: short stacking energy: -26.778
Base-Backbone interact. energy: 0.433
local terms energy: -44.029789
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -1.479
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -198.907171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.907171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.907171 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.189
local terms energy: -80.371356
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -20.736
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -200.353804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.353804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.353804 (E_RNA)
where:
Base-Base interactions energy: -125.811
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.002
local terms energy: -74.541343
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -197.454987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.454987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.454987 (E_RNA)
where:
Base-Base interactions energy: -125.561
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.310
local terms energy: -71.583384
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -122.290335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.290335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.290335 (E_RNA)
where:
Base-Base interactions energy: -73.799
where: short stacking energy: -44.797
Base-Backbone interact. energy: -0.100
local terms energy: -48.391224
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -5.120
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: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -112.702735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.702735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.702735 (E_RNA)
where:
Base-Base interactions energy: -53.662
where: short stacking energy: -53.506
Base-Backbone interact. energy: -0.113
local terms energy: -58.927392
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -12.309
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -100.006516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.006516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.006516 (E_RNA)
where:
Base-Base interactions energy: -44.901
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.186
local terms energy: -54.919358
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -1.353
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: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -96.029337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.029337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.029337 (E_RNA)
where:
Base-Base interactions energy: -37.256
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.195
local terms energy: -58.579115
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -90.460941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460941 (E_RNA)
where:
Base-Base interactions energy: -28.802
where: short stacking energy: -20.945
Base-Backbone interact. energy: 0.041
local terms energy: -61.700762
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -80.077008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077008 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.197
local terms energy: -47.986490
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.691
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -72.251404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.251404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.251404 (E_RNA)
where:
Base-Base interactions energy: -22.984
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.629
local terms energy: -48.638982
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -192.162822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.162822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.162822 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.066
local terms energy: -74.526325
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -202.161320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.161320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.161320 (E_RNA)
where:
Base-Base interactions energy: -127.035
where: short stacking energy: -72.880
Base-Backbone interact. energy: 0.077
local terms energy: -75.203729
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -18.626
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: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -188.712672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.712672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.712672 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.017
local terms energy: -72.978800
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -20.725
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: 221
Temperature: 1.050000
Total energy: -113.030041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.030041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.030041 (E_RNA)
where:
Base-Base interactions energy: -67.851
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.119
local terms energy: -45.060297
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -103.975573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.975573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.975573 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -37.906
Base-Backbone interact. energy: -0.063
local terms energy: -58.678512
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -1.687
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -88.641894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641894 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.008
local terms energy: -52.800998
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -5.805
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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -83.184955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184955 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -21.414
Base-Backbone interact. energy: 0.595
local terms energy: -55.151236
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -99.949130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.949130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.949130 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.130
local terms energy: -56.350722
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.674283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.674283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.674283 (E_RNA)
where:
Base-Base interactions energy: -26.515
where: short stacking energy: -15.455
Base-Backbone interact. energy: -0.075
local terms energy: -53.084455
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -2.680
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -73.513042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.513042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.513042 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.104
local terms energy: -46.012999
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -3.884
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -210.363601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.363601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.363601 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -72.810
Base-Backbone interact. energy: -0.011
local terms energy: -83.192567
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -194.198152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.198152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.198152 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.126
local terms energy: -73.721366
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.286
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: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -126.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.086407 (E_RNA)
where:
Base-Base interactions energy: -56.185
where: short stacking energy: -43.056
Base-Backbone interact. energy: 0.799
local terms energy: -70.701361
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -13.233
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: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -188.944886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.944886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.944886 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -71.593
Base-Backbone interact. energy: 1.483
local terms energy: -68.662277
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -104.405475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405475 (E_RNA)
where:
Base-Base interactions energy: -48.267
where: short stacking energy: -43.514
Base-Backbone interact. energy: -0.050
local terms energy: -56.088702
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -96.886637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.886637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.886637 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.029
local terms energy: -63.233803
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -8.031
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: 222
Temperature: 1.200000
Total energy: -90.565258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.565258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.565258 (E_RNA)
where:
Base-Base interactions energy: -30.265
where: short stacking energy: -24.565
Base-Backbone interact. energy: -0.916
local terms energy: -59.384384
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -89.732538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.732538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.732538 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.006
local terms energy: -56.508192
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -71.920846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.920846 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.119
local terms energy: -46.236539
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -73.983745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.983745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.983745 (E_RNA)
where:
Base-Base interactions energy: -23.726
where: short stacking energy: -23.616
Base-Backbone interact. energy: -0.197
local terms energy: -50.061149
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -208.037075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.037075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.037075 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -74.668
Base-Backbone interact. energy: -0.029
local terms energy: -79.751888
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -203.225407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.225407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225407 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.091
local terms energy: -78.858988
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -119.796611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.796611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.796611 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.100
local terms energy: -63.186816
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -183.843304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.843304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.843304 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -59.726
Base-Backbone interact. energy: -0.013
local terms energy: -69.920202
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -104.790092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.790092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.790092 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -36.337
Base-Backbone interact. energy: -0.038
local terms energy: -68.415633
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -97.591788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.591788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.591788 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -37.755
Base-Backbone interact. energy: 1.082
local terms energy: -53.435383
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -10.103
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: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -92.524802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.524802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.524802 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -36.526
Base-Backbone interact. energy: 0.132
local terms energy: -45.146942
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -3.601
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -94.004817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.004817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.004817 (E_RNA)
where:
Base-Base interactions energy: -48.617
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.006
local terms energy: -45.381780
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.426
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -78.276040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.276040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.276040 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.020
local terms energy: -50.486939
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -77.591190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.591190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.591190 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.052
local terms energy: -53.110862
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -4.282
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: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -202.009410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.009410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.009410 (E_RNA)
where:
Base-Base interactions energy: -122.671
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.004
local terms energy: -79.334799
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -197.342666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.342666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.342666 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.001
local terms energy: -73.297913
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.084
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: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -194.923095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.923095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.923095 (E_RNA)
where:
Base-Base interactions energy: -125.408
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.109
local terms energy: -69.405766
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -98.454625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.454625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.454625 (E_RNA)
where:
Base-Base interactions energy: -40.216
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.100
local terms energy: -58.138268
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -105.541028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.541028 (E_RNA)
where:
Base-Base interactions energy: -40.458
where: short stacking energy: -38.266
Base-Backbone interact. energy: -0.014
local terms energy: -65.069117
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -96.894440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.894440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.894440 (E_RNA)
where:
Base-Base interactions energy: -46.950
where: short stacking energy: -33.598
Base-Backbone interact. energy: -0.422
local terms energy: -49.521916
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -85.356479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356479 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.322
local terms energy: -48.833621
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -82.295361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.295361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.295361 (E_RNA)
where:
Base-Base interactions energy: -25.292
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.145
local terms energy: -56.857639
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.742
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: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -87.530806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530806 (E_RNA)
where:
Base-Base interactions energy: -44.212
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.173
local terms energy: -43.145684
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -6.283
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.694395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.694395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.694395 (E_RNA)
where:
Base-Base interactions energy: -24.527
where: short stacking energy: -24.094
Base-Backbone interact. energy: -0.106
local terms energy: -54.061931
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -207.224571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.224571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.224571 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -74.285
Base-Backbone interact. energy: -0.001
local terms energy: -84.911812
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -23.027
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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -207.370608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.370608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.370608 (E_RNA)
where:
Base-Base interactions energy: -129.101
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.838
local terms energy: -77.431834
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -184.173772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.173772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.173772 (E_RNA)
where:
Base-Base interactions energy: -112.857
where: short stacking energy: -62.100
Base-Backbone interact. energy: -0.172
local terms energy: -71.144214
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -125.263387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.263387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.263387 (E_RNA)
where:
Base-Base interactions energy: -62.649
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.008
local terms energy: -62.606769
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -11.930
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: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -92.180550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.180550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.180550 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.290
local terms energy: -53.260615
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -9.083
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: 225
Temperature: 1.150000
Total energy: -95.715802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.715802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.715802 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.021
local terms energy: -51.293258
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -2.294
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: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -87.312148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.312148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.312148 (E_RNA)
where:
Base-Base interactions energy: -36.082
where: short stacking energy: -22.342
Base-Backbone interact. energy: -1.030
local terms energy: -50.199800
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.640
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -88.529917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.529917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.529917 (E_RNA)
where:
Base-Base interactions energy: -32.609
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.008
local terms energy: -55.912079
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -85.470183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470183 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -20.509
Base-Backbone interact. energy: -0.615
local terms energy: -52.922885
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -82.213571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.213571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.213571 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.285
local terms energy: -42.592089
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -200.208439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.208439 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -72.876
Base-Backbone interact. energy: -0.795
local terms energy: -74.927328
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -194.684338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.684338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.684338 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.098
local terms energy: -74.970226
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -178.435940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.435940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.435940 (E_RNA)
where:
Base-Base interactions energy: -111.195
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.169
local terms energy: -67.072113
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -15.550
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: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -107.712528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.712528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.712528 (E_RNA)
where:
Base-Base interactions energy: -48.674
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.222
local terms energy: -58.816075
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -104.846892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.846892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.846892 (E_RNA)
where:
Base-Base interactions energy: -54.242
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.366
local terms energy: -50.238967
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -99.568025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.568025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.568025 (E_RNA)
where:
Base-Base interactions energy: -52.864
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.457
local terms energy: -46.247061
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -101.521752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521752 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -40.020
Base-Backbone interact. energy: -0.249
local terms energy: -56.140256
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -4.600
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: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -83.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.315780 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -16.693
Base-Backbone interact. energy: -1.004
local terms energy: -51.410677
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -93.989866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989866 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -36.458
Base-Backbone interact. energy: -0.127
local terms energy: -57.031549
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.699268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699268 (E_RNA)
where:
Base-Base interactions energy: -26.206
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.352
local terms energy: -56.141125
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -7.156
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: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -202.145861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.145861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.145861 (E_RNA)
where:
Base-Base interactions energy: -121.057
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.000
local terms energy: -81.089133
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -195.676769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.676769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.676769 (E_RNA)
where:
Base-Base interactions energy: -119.694
where: short stacking energy: -72.698
Base-Backbone interact. energy: -0.383
local terms energy: -75.599363
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.592
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -198.622871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622871 (E_RNA)
where:
Base-Base interactions energy: -134.008
where: short stacking energy: -67.457
Base-Backbone interact. energy: -0.221
local terms energy: -64.393762
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -141.059327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.059327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.059327 (E_RNA)
where:
Base-Base interactions energy: -76.805
where: short stacking energy: -53.624
Base-Backbone interact. energy: -0.320
local terms energy: -63.934408
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -101.088512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.088512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.088512 (E_RNA)
where:
Base-Base interactions energy: -46.268
where: short stacking energy: -45.437
Base-Backbone interact. energy: -0.078
local terms energy: -54.743190
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -91.232363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.232363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.232363 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -28.008
Base-Backbone interact. energy: 0.786
local terms energy: -51.357146
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -84.203389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203389 (E_RNA)
where:
Base-Base interactions energy: -26.905
where: short stacking energy: -26.208
Base-Backbone interact. energy: 0.465
local terms energy: -57.763263
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -95.092012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.092012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.092012 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -38.026
Base-Backbone interact. energy: -0.006
local terms energy: -57.059282
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -11.304
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: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -83.914811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914811 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -34.881
Base-Backbone interact. energy: -0.188
local terms energy: -48.845102
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -71.206636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.206636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.206636 (E_RNA)
where:
Base-Base interactions energy: -21.303
where: short stacking energy: -20.854
Base-Backbone interact. energy: -0.281
local terms energy: -49.621937
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -7.713
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -202.961797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.961797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.961797 (E_RNA)
where:
Base-Base interactions energy: -125.970
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.003
local terms energy: -76.988947
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -192.820544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.820544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.820544 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.011
local terms energy: -77.339124
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -183.911945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.911945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.911945 (E_RNA)
where:
Base-Base interactions energy: -110.055
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.026
local terms energy: -73.831001
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -117.562455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.562455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.562455 (E_RNA)
where:
Base-Base interactions energy: -64.469
where: short stacking energy: -38.699
Base-Backbone interact. energy: 1.852
local terms energy: -54.945475
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -95.180460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180460 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.331
local terms energy: -55.394280
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -6.768
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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -97.966408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.966408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.966408 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -35.462
Base-Backbone interact. energy: -0.306
local terms energy: -58.956891
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -3.607
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: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -101.093173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.093173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.093173 (E_RNA)
where:
Base-Base interactions energy: -44.876
where: short stacking energy: -33.120
Base-Backbone interact. energy: -0.090
local terms energy: -56.127755
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -86.035708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.035708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.035708 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.190
local terms energy: -46.420699
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -98.973397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973397 (E_RNA)
where:
Base-Base interactions energy: -49.027
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.311
local terms energy: -49.635465
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -78.398085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.398085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.398085 (E_RNA)
where:
Base-Base interactions energy: -25.667
where: short stacking energy: -24.767
Base-Backbone interact. energy: -0.119
local terms energy: -52.611441
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -209.671891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.671891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.671891 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.043
local terms energy: -83.991288
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -187.616150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.616150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.616150 (E_RNA)
where:
Base-Base interactions energy: -120.571
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.066
local terms energy: -66.978847
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -175.200249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.200249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.200249 (E_RNA)
where:
Base-Base interactions energy: -110.304
where: short stacking energy: -51.754
Base-Backbone interact. energy: -1.771
local terms energy: -63.125558
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -122.037576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.037576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.037576 (E_RNA)
where:
Base-Base interactions energy: -56.487
where: short stacking energy: -44.670
Base-Backbone interact. energy: -0.203
local terms energy: -65.348226
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -138.060103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.060103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.060103 (E_RNA)
where:
Base-Base interactions energy: -79.355
where: short stacking energy: -38.015
Base-Backbone interact. energy: -0.071
local terms energy: -58.634361
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -86.243944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243944 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.174
local terms energy: -52.085798
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -5.626
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: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -101.065679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.065679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.065679 (E_RNA)
where:
Base-Base interactions energy: -47.573
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.111
local terms energy: -53.381591
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -94.270534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270534 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.406
local terms energy: -47.864715
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -84.623608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623608 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.152
local terms energy: -50.554662
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -72.262489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.262489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.262489 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.174
local terms energy: -34.273897
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -7.685
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -198.821850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.821850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821850 (E_RNA)
where:
Base-Base interactions energy: -125.183
where: short stacking energy: -66.965
Base-Backbone interact. energy: -0.063
local terms energy: -73.576304
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -193.718173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.718173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.718173 (E_RNA)
where:
Base-Base interactions energy: -114.635
where: short stacking energy: -69.335
Base-Backbone interact. energy: 0.070
local terms energy: -79.153784
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -198.752803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.752803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.752803 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -61.325
Base-Backbone interact. energy: -0.224
local terms energy: -75.517433
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -117.159799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.159799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.159799 (E_RNA)
where:
Base-Base interactions energy: -60.432
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.052
local terms energy: -56.675424
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -134.223975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.223975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.223975 (E_RNA)
where:
Base-Base interactions energy: -74.167
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.022
local terms energy: -60.034432
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -11.588
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -97.232993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.232993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.232993 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.130
local terms energy: -60.873640
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -7.011
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: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -101.723588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.723588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.723588 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -33.384
Base-Backbone interact. energy: 0.035
local terms energy: -67.121366
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -12.469
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -86.271226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271226 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.886
local terms energy: -54.459432
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -0.193
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -74.231086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.231086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.231086 (E_RNA)
where:
Base-Base interactions energy: -25.206
where: short stacking energy: -23.954
Base-Backbone interact. energy: -0.638
local terms energy: -48.387559
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -77.064575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.064575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.064575 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.388
local terms energy: -43.889923
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -10.221
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: 231
Temperature: 0.900000
Total energy: -209.929997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.929997 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -75.832
Base-Backbone interact. energy: -0.001
local terms energy: -84.442781
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -199.581304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.581304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.581304 (E_RNA)
where:
Base-Base interactions energy: -127.895
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.348
local terms energy: -71.338975
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -8.455
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -191.578494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.578494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.578494 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.009
local terms energy: -72.371653
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -124.533178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.533178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.533178 (E_RNA)
where:
Base-Base interactions energy: -60.599
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.048
local terms energy: -63.885997
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.924
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: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -111.260682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.260682 (E_RNA)
where:
Base-Base interactions energy: -47.704
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.188
local terms energy: -63.368628
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.875
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -107.406628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.406628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.406628 (E_RNA)
where:
Base-Base interactions energy: -49.130
where: short stacking energy: -40.503
Base-Backbone interact. energy: -0.472
local terms energy: -57.804608
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -95.158671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.158671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.158671 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.206
local terms energy: -56.391557
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -87.136108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136108 (E_RNA)
where:
Base-Base interactions energy: -40.060
where: short stacking energy: -35.528
Base-Backbone interact. energy: 1.712
local terms energy: -48.788701
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -8.623
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: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.332610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.332610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.332610 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -23.718
Base-Backbone interact. energy: -1.316
local terms energy: -42.878055
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.912964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.912964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.912964 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -31.773
Base-Backbone interact. energy: -0.393
local terms energy: -40.727155
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -204.511933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.511933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.511933 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.003
local terms energy: -80.738820
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -22.616
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -196.073554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.073554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.073554 (E_RNA)
where:
Base-Base interactions energy: -118.005
where: short stacking energy: -71.441
Base-Backbone interact. energy: -0.008
local terms energy: -78.060631
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -19.612
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: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -178.877772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.877772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.877772 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -53.607
Base-Backbone interact. energy: 2.539
local terms energy: -69.787477
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -118.562900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.562900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.562900 (E_RNA)
where:
Base-Base interactions energy: -60.456
where: short stacking energy: -50.450
Base-Backbone interact. energy: 0.016
local terms energy: -58.122085
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -3.892
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: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -108.976685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.976685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.976685 (E_RNA)
where:
Base-Base interactions energy: -53.747
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.112
local terms energy: -55.118242
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -92.367381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.367381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.367381 (E_RNA)
where:
Base-Base interactions energy: -46.121
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.490
local terms energy: -45.756724
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -96.536630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.536630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.536630 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -26.865
Base-Backbone interact. energy: 0.269
local terms energy: -51.771567
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -9.495
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -90.384102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.384102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.384102 (E_RNA)
where:
Base-Base interactions energy: -40.381
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.503
local terms energy: -49.499872
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.329994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.329994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.329994 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -28.582
Base-Backbone interact. energy: -0.077
local terms energy: -48.670783
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -85.028083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028083 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.007
local terms energy: -52.145039
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -8.496
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: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -193.953350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.953350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.953350 (E_RNA)
where:
Base-Base interactions energy: -118.109
where: short stacking energy: -65.924
Base-Backbone interact. energy: 0.748
local terms energy: -76.591832
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -17.755
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: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -186.991340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.991340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.991340 (E_RNA)
where:
Base-Base interactions energy: -111.432
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.440
local terms energy: -75.119468
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -191.151908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.151908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.151908 (E_RNA)
where:
Base-Base interactions energy: -115.645
where: short stacking energy: -65.485
Base-Backbone interact. energy: 1.213
local terms energy: -76.719674
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -121.616026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.616026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.616026 (E_RNA)
where:
Base-Base interactions energy: -54.544
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.358
local terms energy: -66.713557
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -103.965859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.965859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.965859 (E_RNA)
where:
Base-Base interactions energy: -44.888
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.018
local terms energy: -59.059737
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -95.696545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.696545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.696545 (E_RNA)
where:
Base-Base interactions energy: -51.291
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.036
local terms energy: -44.369929
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -3.302
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -82.736925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.736925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.736925 (E_RNA)
where:
Base-Base interactions energy: -29.704
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.028
local terms energy: -53.004294
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -91.622418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.622418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.622418 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -40.435
Base-Backbone interact. energy: -0.224
local terms energy: -50.962926
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -9.242
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: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -81.244961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.244961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.244961 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -26.094
Base-Backbone interact. energy: -0.384
local terms energy: -46.951110
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -82.515456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515456 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -27.917
Base-Backbone interact. energy: -0.134
local terms energy: -51.989348
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -191.191348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.191348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.191348 (E_RNA)
where:
Base-Base interactions energy: -119.370
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.004
local terms energy: -71.817701
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -187.993037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.993037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.993037 (E_RNA)
where:
Base-Base interactions energy: -116.693
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.152
local terms energy: -71.147555
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -187.428649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.428649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.428649 (E_RNA)
where:
Base-Base interactions energy: -113.712
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.043
local terms energy: -73.674321
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -111.971870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.971870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.971870 (E_RNA)
where:
Base-Base interactions energy: -48.450
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.183
local terms energy: -63.339464
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -15.596
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: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -101.729252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.729252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.729252 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.286
local terms energy: -58.556642
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.174
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: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -95.914616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914616 (E_RNA)
where:
Base-Base interactions energy: -40.849
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.407
local terms energy: -54.659276
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -91.702507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.702507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.702507 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -21.663
Base-Backbone interact. energy: -0.043
local terms energy: -52.030251
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -79.773369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773369 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.011
local terms energy: -50.222002
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -78.755604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.755604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.755604 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.399
local terms energy: -45.182448
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -73.956060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.956060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.956060 (E_RNA)
where:
Base-Base interactions energy: -26.420
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.261
local terms energy: -47.275275
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -192.704554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.704554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.704554 (E_RNA)
where:
Base-Base interactions energy: -112.523
where: short stacking energy: -63.067
Base-Backbone interact. energy: -0.283
local terms energy: -79.898635
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.848
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: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -197.868303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.868303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.868303 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.267
local terms energy: -79.674965
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -182.069796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069796 (E_RNA)
where:
Base-Base interactions energy: -103.474
where: short stacking energy: -57.746
Base-Backbone interact. energy: -0.025
local terms energy: -78.570752
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -117.386803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.386803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.386803 (E_RNA)
where:
Base-Base interactions energy: -54.171
where: short stacking energy: -47.953
Base-Backbone interact. energy: -0.069
local terms energy: -63.147202
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -101.162148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.162148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.162148 (E_RNA)
where:
Base-Base interactions energy: -37.286
where: short stacking energy: -35.401
Base-Backbone interact. energy: -0.004
local terms energy: -63.872697
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -98.070184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.070184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.070184 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -40.830
Base-Backbone interact. energy: -0.007
local terms energy: -58.332667
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -12.954
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: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -90.555245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.555245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.555245 (E_RNA)
where:
Base-Base interactions energy: -46.312
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.095
local terms energy: -44.148238
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -8.286
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.487
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: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -90.187399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187399 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -33.217
Base-Backbone interact. energy: -0.648
local terms energy: -51.911626
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -2.074
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: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -73.689568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.689568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.689568 (E_RNA)
where:
Base-Base interactions energy: -26.417
where: short stacking energy: -23.577
Base-Backbone interact. energy: 0.342
local terms energy: -47.614674
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -72.914872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.914872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.914872 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -22.582
Base-Backbone interact. energy: 0.156
local terms energy: -43.044285
where:
bonds (distance) C4'-P energy: -6.690
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -197.513160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.513160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.513160 (E_RNA)
where:
Base-Base interactions energy: -113.654
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.009
local terms energy: -83.850434
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -197.053937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.053937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.053937 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -77.260
Base-Backbone interact. energy: -0.006
local terms energy: -76.652972
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -22.298
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -184.430299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.430299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.430299 (E_RNA)
where:
Base-Base interactions energy: -111.078
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.015
local terms energy: -73.337275
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -106.556692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.556692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.556692 (E_RNA)
where:
Base-Base interactions energy: -47.166
where: short stacking energy: -47.166
Base-Backbone interact. energy: -0.007
local terms energy: -59.383900
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -9.552
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: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -98.312082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.312082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.312082 (E_RNA)
where:
Base-Base interactions energy: -37.893
where: short stacking energy: -34.104
Base-Backbone interact. energy: -2.123
local terms energy: -58.295813
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -90.587485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.587485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.587485 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.122
local terms energy: -52.895634
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -8.767
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: 236
Temperature: 1.200000
Total energy: -85.276135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276135 (E_RNA)
where:
Base-Base interactions energy: -28.899
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.861
local terms energy: -55.515570
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -91.023418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.023418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.023418 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -33.409
Base-Backbone interact. energy: -0.198
local terms energy: -57.615455
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.065
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: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -93.181189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181189 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.457
local terms energy: -54.349267
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -74.529499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.529499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.529499 (E_RNA)
where:
Base-Base interactions energy: -26.429
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.113
local terms energy: -47.987719
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: 2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -197.677832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.677832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.677832 (E_RNA)
where:
Base-Base interactions energy: -116.641
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.064
local terms energy: -80.972805
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -18.963
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: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -187.822165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.822165 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.065
local terms energy: -72.707912
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -9.713
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: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -183.437114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.437114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.437114 (E_RNA)
where:
Base-Base interactions energy: -110.758
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.049
local terms energy: -72.630300
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -116.350767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.350767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.350767 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.079
local terms energy: -69.097615
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -105.252276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.252276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.252276 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.008
local terms energy: -61.080084
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -101.977177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.977177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.977177 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -20.375
Base-Backbone interact. energy: -0.727
local terms energy: -57.133591
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -3.253
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: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -91.254613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.254613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.254613 (E_RNA)
where:
Base-Base interactions energy: -43.584
where: short stacking energy: -37.013
Base-Backbone interact. energy: -0.159
local terms energy: -47.511825
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -88.374190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374190 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -22.440
Base-Backbone interact. energy: -0.319
local terms energy: -55.113080
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -105.668226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.668226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.668226 (E_RNA)
where:
Base-Base interactions energy: -51.924
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.521
local terms energy: -53.223705
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -91.907763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907763 (E_RNA)
where:
Base-Base interactions energy: -43.276
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.108
local terms energy: -48.523359
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -9.125
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -194.229352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.229352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.229352 (E_RNA)
where:
Base-Base interactions energy: -116.313
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.653
local terms energy: -77.262833
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -11.820
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -186.426653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.426653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.426653 (E_RNA)
where:
Base-Base interactions energy: -115.278
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.014
local terms energy: -71.134072
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -180.871128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.871128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.871128 (E_RNA)
where:
Base-Base interactions energy: -109.677
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.015
local terms energy: -71.179296
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -110.537490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.537490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.537490 (E_RNA)
where:
Base-Base interactions energy: -54.486
where: short stacking energy: -36.882
Base-Backbone interact. energy: -1.035
local terms energy: -55.015573
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -105.748097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.748097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.748097 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -33.496
Base-Backbone interact. energy: -0.656
local terms energy: -60.794353
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -13.398
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -87.700059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700059 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -38.573
Base-Backbone interact. energy: -0.361
local terms energy: -47.308860
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -89.215276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.215276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.215276 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.072
local terms energy: -52.914596
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -75.022632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.022632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.022632 (E_RNA)
where:
Base-Base interactions energy: -19.830
where: short stacking energy: -18.805
Base-Backbone interact. energy: 0.719
local terms energy: -55.911967
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -89.797379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797379 (E_RNA)
where:
Base-Base interactions energy: -47.835
where: short stacking energy: -33.285
Base-Backbone interact. energy: 0.342
local terms energy: -42.303820
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -9.251
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -81.460360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.460360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.460360 (E_RNA)
where:
Base-Base interactions energy: -26.364
where: short stacking energy: -21.960
Base-Backbone interact. energy: -0.084
local terms energy: -55.012723
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.058
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -199.127243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.127243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.127243 (E_RNA)
where:
Base-Base interactions energy: -124.629
where: short stacking energy: -72.693
Base-Backbone interact. energy: -1.275
local terms energy: -73.223508
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -185.211569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211569 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.001
local terms energy: -66.654652
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -16.918
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -188.282246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.282246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.282246 (E_RNA)
where:
Base-Base interactions energy: -112.567
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.014
local terms energy: -75.701025
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -19.533
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: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -123.623461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.623461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.623461 (E_RNA)
where:
Base-Base interactions energy: -61.811
where: short stacking energy: -34.579
Base-Backbone interact. energy: -0.122
local terms energy: -61.690576
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -98.813032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.813032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.813032 (E_RNA)
where:
Base-Base interactions energy: -42.485
where: short stacking energy: -39.957
Base-Backbone interact. energy: -0.239
local terms energy: -56.088803
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.732
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -97.663095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.663095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.663095 (E_RNA)
where:
Base-Base interactions energy: -53.319
where: short stacking energy: -20.442
Base-Backbone interact. energy: -1.143
local terms energy: -43.201569
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -84.004633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.004633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.004633 (E_RNA)
where:
Base-Base interactions energy: -34.420
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.042
local terms energy: -49.543194
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -81.508393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.508393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.508393 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.267
local terms energy: -45.914505
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -74.634434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634434 (E_RNA)
where:
Base-Base interactions energy: -32.630
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.221
local terms energy: -41.783459
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.915313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.915313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.915313 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.032
local terms energy: -46.438439
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -191.101996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.101996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.101996 (E_RNA)
where:
Base-Base interactions energy: -116.474
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.046
local terms energy: -74.581426
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -17.378
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -184.009860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.009860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.009860 (E_RNA)
where:
Base-Base interactions energy: -114.589
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.173
local terms energy: -69.248395
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -192.870458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.870458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.870458 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -71.120
Base-Backbone interact. energy: -0.019
local terms energy: -72.334703
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -134.258982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.258982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.258982 (E_RNA)
where:
Base-Base interactions energy: -75.173
where: short stacking energy: -38.372
Base-Backbone interact. energy: -0.141
local terms energy: -58.944769
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -104.784621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.784621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.784621 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -42.156
Base-Backbone interact. energy: -0.004
local terms energy: -62.609482
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -99.734970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.734970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.734970 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.320
local terms energy: -61.665741
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.935
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: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -97.310352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310352 (E_RNA)
where:
Base-Base interactions energy: -44.259
where: short stacking energy: -32.892
Base-Backbone interact. energy: -0.263
local terms energy: -52.788450
where:
bonds (distance) C4'-P energy: -6.127
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -95.950873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.950873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.950873 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -22.157
Base-Backbone interact. energy: -0.039
local terms energy: -56.914214
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -83.746299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.746299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.746299 (E_RNA)
where:
Base-Base interactions energy: -26.092
where: short stacking energy: -15.469
Base-Backbone interact. energy: -0.060
local terms energy: -57.593652
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -90.916279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916279 (E_RNA)
where:
Base-Base interactions energy: -29.455
where: short stacking energy: -29.455
Base-Backbone interact. energy: -0.041
local terms energy: -61.420471
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -9.980
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: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -192.100381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.100381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.100381 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.010
local terms energy: -77.744138
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -196.250578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.250578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.250578 (E_RNA)
where:
Base-Base interactions energy: -114.238
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.000
local terms energy: -82.012715
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -21.617
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -180.964447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.964447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.964447 (E_RNA)
where:
Base-Base interactions energy: -113.276
where: short stacking energy: -63.077
Base-Backbone interact. energy: 1.930
local terms energy: -69.618817
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -115.958691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.958691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.958691 (E_RNA)
where:
Base-Base interactions energy: -59.957
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.649
local terms energy: -55.352248
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.457
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -100.576402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.576402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.576402 (E_RNA)
where:
Base-Base interactions energy: -46.425
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.145
local terms energy: -54.006764
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -106.516797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.516797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.516797 (E_RNA)
where:
Base-Base interactions energy: -44.613
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.051
local terms energy: -61.853519
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -10.823
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -94.220500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.220500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.220500 (E_RNA)
where:
Base-Base interactions energy: -42.010
where: short stacking energy: -35.969
Base-Backbone interact. energy: -0.222
local terms energy: -51.988556
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -4.198
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -91.015665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015665 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -19.441
Base-Backbone interact. energy: -0.826
local terms energy: -46.143614
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -84.878058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.878058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.878058 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.112
local terms energy: -46.992791
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -81.362229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362229 (E_RNA)
where:
Base-Base interactions energy: -28.145
where: short stacking energy: -25.910
Base-Backbone interact. energy: -0.061
local terms energy: -53.156493
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -200.949876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.949876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.949876 (E_RNA)
where:
Base-Base interactions energy: -124.545
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.082
local terms energy: -76.322382
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -186.079608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.079608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.079608 (E_RNA)
where:
Base-Base interactions energy: -108.786
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.014
local terms energy: -77.279651
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -193.043233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.043233 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -64.018
Base-Backbone interact. energy: -0.104
local terms energy: -77.208225
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -112.260455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.260455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.260455 (E_RNA)
where:
Base-Base interactions energy: -45.394
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.121
local terms energy: -66.745434
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -9.337
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: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -91.990813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.990813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.990813 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -38.488
Base-Backbone interact. energy: 0.319
local terms energy: -53.821141
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -4.845
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: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -98.454868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.454868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.454868 (E_RNA)
where:
Base-Base interactions energy: -45.435
where: short stacking energy: -40.416
Base-Backbone interact. energy: 0.068
local terms energy: -53.088395
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -4.140
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: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -89.524118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524118 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.978
local terms energy: -53.417660
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -4.766
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -90.849712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.849712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.849712 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -43.377
Base-Backbone interact. energy: -0.056
local terms energy: -47.415994
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -79.579530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.579530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.579530 (E_RNA)
where:
Base-Base interactions energy: -24.281
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.315
local terms energy: -54.983076
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -84.986426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.986426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.986426 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.356
local terms energy: -50.779958
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -0.569
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -211.396523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396523 (E_RNA)
where:
Base-Base interactions energy: -127.600
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.705
local terms energy: -83.091839
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -22.957
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -198.378093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.378093 (E_RNA)
where:
Base-Base interactions energy: -113.939
where: short stacking energy: -66.999
Base-Backbone interact. energy: -1.336
local terms energy: -83.103036
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -20.332
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: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -184.620054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.620054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.620054 (E_RNA)
where:
Base-Base interactions energy: -116.667
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.007
local terms energy: -67.946050
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -17.345
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -113.792610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.792610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.792610 (E_RNA)
where:
Base-Base interactions energy: -55.312
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.864
local terms energy: -57.616971
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -108.265456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.265456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.265456 (E_RNA)
where:
Base-Base interactions energy: -55.865
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.473
local terms energy: -51.927588
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -93.806831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.806831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.806831 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -27.336
Base-Backbone interact. energy: -1.055
local terms energy: -52.686052
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -85.564247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564247 (E_RNA)
where:
Base-Base interactions energy: -31.224
where: short stacking energy: -23.698
Base-Backbone interact. energy: 0.642
local terms energy: -54.982920
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -86.792540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792540 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -21.881
Base-Backbone interact. energy: -0.192
local terms energy: -52.303808
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -82.933368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933368 (E_RNA)
where:
Base-Base interactions energy: -36.365
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.125
local terms energy: -46.443923
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -8.579
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: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -87.137493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.137493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.137493 (E_RNA)
where:
Base-Base interactions energy: -40.331
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.051
local terms energy: -46.755709
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -202.907009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.907009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.907009 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.005
local terms energy: -79.908633
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.804
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -182.000903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000903 (E_RNA)
where:
Base-Base interactions energy: -111.496
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.029
local terms energy: -70.475967
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -187.509780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.509780 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.010
local terms energy: -72.858265
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -116.419570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.419570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.419570 (E_RNA)
where:
Base-Base interactions energy: -63.253
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.123
local terms energy: -53.043863
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -11.674
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: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -113.802809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.802809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.802809 (E_RNA)
where:
Base-Base interactions energy: -53.164
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.020
local terms energy: -60.618960
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -8.536
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: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -91.402377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402377 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.160
local terms energy: -60.371922
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.340
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: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -79.693249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693249 (E_RNA)
where:
Base-Base interactions energy: -25.508
where: short stacking energy: -17.625
Base-Backbone interact. energy: -0.815
local terms energy: -53.370217
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -93.573458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573458 (E_RNA)
where:
Base-Base interactions energy: -36.165
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.191
local terms energy: -57.217055
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -6.416
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: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -102.072012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.072012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.072012 (E_RNA)
where:
Base-Base interactions energy: -51.973
where: short stacking energy: -24.486
Base-Backbone interact. energy: -0.119
local terms energy: -49.979290
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -6.301
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -67.930927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.930927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.930927 (E_RNA)
where:
Base-Base interactions energy: -23.391
where: short stacking energy: -21.804
Base-Backbone interact. energy: -0.278
local terms energy: -44.261703
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: 4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -200.639818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639818 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -75.343
Base-Backbone interact. energy: -0.080
local terms energy: -73.474980
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -195.500351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.500351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.500351 (E_RNA)
where:
Base-Base interactions energy: -125.171
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.399
local terms energy: -69.930271
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -202.407378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.407378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.407378 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.055
local terms energy: -67.045531
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -7.161
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -103.958995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.958995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.958995 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.221
local terms energy: -59.869184
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -11.891
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: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -104.395868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.395868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.395868 (E_RNA)
where:
Base-Base interactions energy: -45.258
where: short stacking energy: -34.334
Base-Backbone interact. energy: 0.163
local terms energy: -59.301387
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -97.299942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.299942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.299942 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.859
local terms energy: -62.179146
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -5.641
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: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -86.502087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.502087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.502087 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.029
local terms energy: -56.865194
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -84.702528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.702528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.702528 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.064
local terms energy: -49.601065
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -11.467
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: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -79.274142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.274142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.274142 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.721
local terms energy: -46.818336
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -76.154274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.154274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.154274 (E_RNA)
where:
Base-Base interactions energy: -31.961
where: short stacking energy: -27.651
Base-Backbone interact. energy: -0.174
local terms energy: -44.019960
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -189.632817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.632817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.632817 (E_RNA)
where:
Base-Base interactions energy: -118.736
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.008
local terms energy: -70.888999
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -203.696516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.696516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.696516 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -75.054
Base-Backbone interact. energy: -0.017
local terms energy: -77.583284
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -22.354
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: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -117.506267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.506267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.506267 (E_RNA)
where:
Base-Base interactions energy: -46.007
where: short stacking energy: -41.828
Base-Backbone interact. energy: -0.017
local terms energy: -71.483033
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -181.542443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542443 (E_RNA)
where:
Base-Base interactions energy: -118.438
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.014
local terms energy: -63.090265
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -122.482656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.482656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.482656 (E_RNA)
where:
Base-Base interactions energy: -61.549
where: short stacking energy: -39.982
Base-Backbone interact. energy: -0.072
local terms energy: -60.862104
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -104.858639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.858639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.858639 (E_RNA)
where:
Base-Base interactions energy: -42.488
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.042
local terms energy: -62.328409
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -93.381360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381360 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -34.708
Base-Backbone interact. energy: 3.366
local terms energy: -59.463742
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -89.602987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602987 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.064
local terms energy: -57.291683
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -88.325250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.325250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.325250 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.104
local terms energy: -45.369964
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -80.260458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.260458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.260458 (E_RNA)
where:
Base-Base interactions energy: -31.009
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.169
local terms energy: -49.082153
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -194.492843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492843 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.003
local terms energy: -75.696566
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.581
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: 247
Temperature: 0.950000
Total energy: -193.313713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.313713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.313713 (E_RNA)
where:
Base-Base interactions energy: -118.176
where: short stacking energy: -67.350
Base-Backbone interact. energy: -1.637
local terms energy: -73.500610
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -109.337032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.337032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.337032 (E_RNA)
where:
Base-Base interactions energy: -50.346
where: short stacking energy: -44.757
Base-Backbone interact. energy: 0.946
local terms energy: -59.936396
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -192.920624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.920624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.920624 (E_RNA)
where:
Base-Base interactions energy: -117.236
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.003
local terms energy: -75.681712
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -138.663273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.663273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.663273 (E_RNA)
where:
Base-Base interactions energy: -72.971
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.097
local terms energy: -65.595158
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -14.108
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: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -94.503381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.503381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.503381 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -42.754
Base-Backbone interact. energy: -0.262
local terms energy: -51.487492
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -83.281606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.281606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.281606 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -25.916
Base-Backbone interact. energy: -0.017
local terms energy: -51.527356
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -95.942715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.942715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.942715 (E_RNA)
where:
Base-Base interactions energy: -41.318
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.226
local terms energy: -54.399216
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -9.268
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -77.617042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.617042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.617042 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.174
local terms energy: -45.983532
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -5.042
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.408758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.408758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.408758 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -28.961
Base-Backbone interact. energy: 0.187
local terms energy: -43.935837
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -6.903
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -9.444
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: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -203.407967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.407967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.407967 (E_RNA)
where:
Base-Base interactions energy: -124.164
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.000
local terms energy: -79.243277
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.987
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: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -195.421411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.421411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.421411 (E_RNA)
where:
Base-Base interactions energy: -115.823
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.001
local terms energy: -79.597276
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -186.039675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.039675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.039675 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.000
local terms energy: -72.081461
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -130.463911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.463911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.463911 (E_RNA)
where:
Base-Base interactions energy: -68.660
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.004
local terms energy: -61.799257
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -144.742858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.742858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.742858 (E_RNA)
where:
Base-Base interactions energy: -84.784
where: short stacking energy: -43.388
Base-Backbone interact. energy: -0.099
local terms energy: -59.860509
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -97.080843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080843 (E_RNA)
where:
Base-Base interactions energy: -42.683
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.145
local terms energy: -54.251951
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -11.971
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: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -91.934030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934030 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -26.489
Base-Backbone interact. energy: 1.046
local terms energy: -58.668434
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -84.020482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020482 (E_RNA)
where:
Base-Base interactions energy: -36.271
where: short stacking energy: -28.034
Base-Backbone interact. energy: 1.732
local terms energy: -49.481958
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -3.689
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -92.018001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.018001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.018001 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.457
local terms energy: -53.933651
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -83.521907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521907 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -25.818
Base-Backbone interact. energy: -0.099
local terms energy: -57.605234
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -201.867911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.867911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.867911 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -72.209
Base-Backbone interact. energy: -0.003
local terms energy: -80.790275
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -194.187404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.187404 (E_RNA)
where:
Base-Base interactions energy: -117.070
where: short stacking energy: -66.126
Base-Backbone interact. energy: -0.016
local terms energy: -77.100472
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.900
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: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -180.564742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.564742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.564742 (E_RNA)
where:
Base-Base interactions energy: -118.998
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.015
local terms energy: -61.552057
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -147.405565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.405565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.405565 (E_RNA)
where:
Base-Base interactions energy: -81.540
where: short stacking energy: -32.474
Base-Backbone interact. energy: 0.106
local terms energy: -65.971758
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -122.987278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.987278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.987278 (E_RNA)
where:
Base-Base interactions energy: -64.324
where: short stacking energy: -35.454
Base-Backbone interact. energy: 0.908
local terms energy: -59.571287
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -10.559
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: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -90.725949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.725949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.725949 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.039
local terms energy: -53.863406
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -9.545
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: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -98.282034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.282034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.282034 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -33.510
Base-Backbone interact. energy: -1.050
local terms energy: -53.945268
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -76.425257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.425257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.425257 (E_RNA)
where:
Base-Base interactions energy: -24.232
where: short stacking energy: -23.802
Base-Backbone interact. energy: -0.032
local terms energy: -52.161733
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -79.519320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.519320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.519320 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -31.645
Base-Backbone interact. energy: -0.159
local terms energy: -43.706705
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -80.490158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.490158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.490158 (E_RNA)
where:
Base-Base interactions energy: -22.844
where: short stacking energy: -22.844
Base-Backbone interact. energy: -0.196
local terms energy: -57.449885
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -195.824327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.824327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.824327 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.038
local terms energy: -76.681618
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -9.971
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: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -192.618741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.618741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.618741 (E_RNA)
where:
Base-Base interactions energy: -118.509
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.068
local terms energy: -74.042143
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.671
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -193.238634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.238634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.238634 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.046
local terms energy: -75.868056
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -12.486
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: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -154.893868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.893868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.893868 (E_RNA)
where:
Base-Base interactions energy: -86.383
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.002
local terms energy: -68.509208
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -100.838806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.838806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.838806 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -34.706
Base-Backbone interact. energy: -0.874
local terms energy: -58.580757
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -107.239421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.239421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.239421 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -28.052
Base-Backbone interact. energy: -0.455
local terms energy: -61.489805
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -8.355
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -95.261558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261558 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.032
local terms energy: -56.607820
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -92.597831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597831 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -35.155
Base-Backbone interact. energy: 0.435
local terms energy: -55.174845
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -7.366
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -82.663812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.663812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.663812 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -13.224
Base-Backbone interact. energy: 0.657
local terms energy: -44.198871
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -10.269
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: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -87.829137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.829137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.829137 (E_RNA)
where:
Base-Base interactions energy: -49.101
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.096
local terms energy: -38.631268
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -6.347
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: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -200.225120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.225120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.225120 (E_RNA)
where:
Base-Base interactions energy: -118.398
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.103
local terms energy: -81.724289
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -196.194722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.194722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.194722 (E_RNA)
where:
Base-Base interactions energy: -114.565
where: short stacking energy: -62.690
Base-Backbone interact. energy: -1.500
local terms energy: -80.129395
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -180.512622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.512622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.512622 (E_RNA)
where:
Base-Base interactions energy: -115.690
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.043
local terms energy: -64.778843
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -17.278
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: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -157.026030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.026030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.026030 (E_RNA)
where:
Base-Base interactions energy: -94.248
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.186
local terms energy: -62.592199
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.416
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: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -95.408790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.408790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.408790 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.039
local terms energy: -59.583292
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -11.590
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: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -92.768606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.768606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.768606 (E_RNA)
where:
Base-Base interactions energy: -37.913
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.222
local terms energy: -54.633200
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.407809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.407809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.407809 (E_RNA)
where:
Base-Base interactions energy: -49.583
where: short stacking energy: -25.361
Base-Backbone interact. energy: -0.369
local terms energy: -40.456442
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -78.523626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.523626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.523626 (E_RNA)
where:
Base-Base interactions energy: -26.415
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.250
local terms energy: -51.859142
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: 1.937
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: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -83.457028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457028 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.383
local terms energy: -48.704436
where:
bonds (distance) C4'-P energy: -7.404
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.025
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -87.996642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996642 (E_RNA)
where:
Base-Base interactions energy: -34.814
where: short stacking energy: -34.563
Base-Backbone interact. energy: 1.118
local terms energy: -54.300195
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -197.430131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.430131 (E_RNA)
where:
Base-Base interactions energy: -116.494
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.014
local terms energy: -80.922102
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.019
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -188.062841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.062841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.062841 (E_RNA)
where:
Base-Base interactions energy: -113.194
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.107
local terms energy: -74.761604
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.696
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: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -189.399133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.399133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.399133 (E_RNA)
where:
Base-Base interactions energy: -110.668
where: short stacking energy: -60.727
Base-Backbone interact. energy: -0.073
local terms energy: -78.658827
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -164.118054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.118054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.118054 (E_RNA)
where:
Base-Base interactions energy: -102.071
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.058
local terms energy: -61.989877
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -116.100243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.100243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.100243 (E_RNA)
where:
Base-Base interactions energy: -51.787
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.010
local terms energy: -64.303128
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -94.227362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.227362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.227362 (E_RNA)
where:
Base-Base interactions energy: -37.363
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.017
local terms energy: -56.847425
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -94.651674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.651674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.651674 (E_RNA)
where:
Base-Base interactions energy: -42.415
where: short stacking energy: -38.147
Base-Backbone interact. energy: 0.012
local terms energy: -52.248981
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -9.216
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -80.278787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.278787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.278787 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.598
local terms energy: -36.680825
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -6.353
flat angles P-C4'-P energy: -3.545
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: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -91.718747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.718747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.718747 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -28.624
Base-Backbone interact. energy: -0.121
local terms energy: -45.108050
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -75.737340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.737340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.737340 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -23.321
Base-Backbone interact. energy: -0.106
local terms energy: -46.125106
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -212.734004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.734004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.734004 (E_RNA)
where:
Base-Base interactions energy: -132.022
where: short stacking energy: -69.557
Base-Backbone interact. energy: -1.082
local terms energy: -79.629243
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -194.805195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.805195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.805195 (E_RNA)
where:
Base-Base interactions energy: -117.676
where: short stacking energy: -75.065
Base-Backbone interact. energy: -0.052
local terms energy: -77.076949
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -187.987553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.987553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.987553 (E_RNA)
where:
Base-Base interactions energy: -115.247
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.579
local terms energy: -72.161172
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -173.398495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.398495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.398495 (E_RNA)
where:
Base-Base interactions energy: -104.066
where: short stacking energy: -42.921
Base-Backbone interact. energy: -0.076
local terms energy: -69.256306
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -105.145109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.145109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.145109 (E_RNA)
where:
Base-Base interactions energy: -43.695
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.018
local terms energy: -61.431841
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.893
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: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -104.325455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.325455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.325455 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.023
local terms energy: -58.410999
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -104.862940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.862940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.862940 (E_RNA)
where:
Base-Base interactions energy: -54.982
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.192
local terms energy: -49.688778
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.056
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: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -83.588944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588944 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.296
local terms energy: -52.098637
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -85.418360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.418360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.418360 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.498
local terms energy: -49.733962
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -12.483
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: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.092192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.092192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.092192 (E_RNA)
where:
Base-Base interactions energy: -34.429
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.185
local terms energy: -44.478590
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: 3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -205.400869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400869 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.012
local terms energy: -81.263724
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -192.747923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.747923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.747923 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -68.417
Base-Backbone interact. energy: 0.310
local terms energy: -74.094274
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -160.445143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.445143 (E_RNA)
where:
Base-Base interactions energy: -95.942
where: short stacking energy: -47.648
Base-Backbone interact. energy: 0.058
local terms energy: -64.560897
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -181.264988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.264988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.264988 (E_RNA)
where:
Base-Base interactions energy: -109.767
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.005
local terms energy: -71.492781
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.144
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: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -98.759095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.759095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.759095 (E_RNA)
where:
Base-Base interactions energy: -52.200
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.145
local terms energy: -46.414416
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -108.581069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.581069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.581069 (E_RNA)
where:
Base-Base interactions energy: -49.454
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.118
local terms energy: -59.009277
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.535
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -91.378640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.378640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.378640 (E_RNA)
where:
Base-Base interactions energy: -38.300
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.971
local terms energy: -52.107065
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -87.763842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.763842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.763842 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.049
local terms energy: -57.239158
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -72.394255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.394255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.394255 (E_RNA)
where:
Base-Base interactions energy: -22.856
where: short stacking energy: -22.856
Base-Backbone interact. energy: -0.109
local terms energy: -49.429307
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: 2.133
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: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -81.998758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.998758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.998758 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -29.093
Base-Backbone interact. energy: 0.334
local terms energy: -49.461597
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -198.255288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.255288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.255288 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.038
local terms energy: -74.817838
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -185.181304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181304 (E_RNA)
where:
Base-Base interactions energy: -120.444
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.356
local terms energy: -64.380968
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.259
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: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -185.484801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.484801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.484801 (E_RNA)
where:
Base-Base interactions energy: -108.465
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.074
local terms energy: -76.945659
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -180.493386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.493386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.493386 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.019
local terms energy: -73.416842
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -16.352
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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -99.119007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.119007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.119007 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.023
local terms energy: -67.707250
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -92.840839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.840839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.840839 (E_RNA)
where:
Base-Base interactions energy: -40.279
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.001
local terms energy: -52.560739
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.621
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: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -93.937176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.937176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.937176 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.048
local terms energy: -56.972085
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.748
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: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -85.814969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.814969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.814969 (E_RNA)
where:
Base-Base interactions energy: -30.522
where: short stacking energy: -22.601
Base-Backbone interact. energy: 0.024
local terms energy: -55.316544
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -14.067
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: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -82.943458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943458 (E_RNA)
where:
Base-Base interactions energy: -29.413
where: short stacking energy: -23.858
Base-Backbone interact. energy: -0.121
local terms energy: -53.409137
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -95.660757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660757 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.083
local terms energy: -55.030458
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -10.303
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: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -187.045022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.045022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.045022 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -50.583
Base-Backbone interact. energy: -1.137
local terms energy: -68.627492
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -196.190131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.190131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.190131 (E_RNA)
where:
Base-Base interactions energy: -122.371
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.018
local terms energy: -73.801115
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -161.327928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.327928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327928 (E_RNA)
where:
Base-Base interactions energy: -92.772
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.724
local terms energy: -67.832595
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -10.758
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: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -144.434219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.434219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.434219 (E_RNA)
where:
Base-Base interactions energy: -80.714
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.170
local terms energy: -63.550231
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -92.272316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.272316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.272316 (E_RNA)
where:
Base-Base interactions energy: -42.990
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.205
local terms energy: -49.077536
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -6.841
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: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -97.260845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260845 (E_RNA)
where:
Base-Base interactions energy: -45.024
where: short stacking energy: -38.057
Base-Backbone interact. energy: -0.612
local terms energy: -51.625028
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -93.826443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.826443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.826443 (E_RNA)
where:
Base-Base interactions energy: -45.801
where: short stacking energy: -45.801
Base-Backbone interact. energy: 0.719
local terms energy: -48.744110
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.064
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -88.900843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900843 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.215
local terms energy: -55.706682
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.220910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.220910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.220910 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.196
local terms energy: -43.839072
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -73.702671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.702671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.702671 (E_RNA)
where:
Base-Base interactions energy: -27.478
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.288
local terms energy: -45.936835
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -181.505212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505212 (E_RNA)
where:
Base-Base interactions energy: -118.288
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.308
local terms energy: -62.909873
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -192.932173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.932173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.932173 (E_RNA)
where:
Base-Base interactions energy: -115.932
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.055
local terms energy: -76.945621
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -166.181043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.181043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.181043 (E_RNA)
where:
Base-Base interactions energy: -102.990
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.395
local terms energy: -62.795103
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -143.318468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.318468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.318468 (E_RNA)
where:
Base-Base interactions energy: -88.684
where: short stacking energy: -58.380
Base-Backbone interact. energy: -0.013
local terms energy: -54.621135
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -1.883
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -99.575576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.575576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.575576 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.095
local terms energy: -60.976651
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -88.019151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.019151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.019151 (E_RNA)
where:
Base-Base interactions energy: -40.985
where: short stacking energy: -37.282
Base-Backbone interact. energy: -0.785
local terms energy: -46.249022
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -94.104716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104716 (E_RNA)
where:
Base-Base interactions energy: -43.373
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.251
local terms energy: -50.480690
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -104.327327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.327327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.327327 (E_RNA)
where:
Base-Base interactions energy: -49.461
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.615
local terms energy: -54.251560
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -2.674
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: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -76.263149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.263149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.263149 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -11.143
Base-Backbone interact. energy: -0.146
local terms energy: -43.345106
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: 2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -75.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.689685 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -28.310
Base-Backbone interact. energy: -0.064
local terms energy: -47.315727
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -191.762822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.762822 (E_RNA)
where:
Base-Base interactions energy: -116.475
where: short stacking energy: -63.640
Base-Backbone interact. energy: -1.666
local terms energy: -73.621661
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -182.723695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.723695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.723695 (E_RNA)
where:
Base-Base interactions energy: -107.813
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.373
local terms energy: -74.537986
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -146.058827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.058827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.058827 (E_RNA)
where:
Base-Base interactions energy: -87.766
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.167
local terms energy: -58.126094
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.684
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: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -168.019241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.019241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.019241 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -50.068
Base-Backbone interact. energy: -0.031
local terms energy: -70.655780
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.336
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -103.219532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219532 (E_RNA)
where:
Base-Base interactions energy: -40.067
where: short stacking energy: -40.067
Base-Backbone interact. energy: -0.089
local terms energy: -63.063886
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -98.407139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.407139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.407139 (E_RNA)
where:
Base-Base interactions energy: -37.710
where: short stacking energy: -35.141
Base-Backbone interact. energy: 1.497
local terms energy: -62.194236
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -8.225
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: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -91.300766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.300766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.300766 (E_RNA)
where:
Base-Base interactions energy: -52.383
where: short stacking energy: -42.636
Base-Backbone interact. energy: -1.713
local terms energy: -37.205635
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -6.686
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: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -93.851258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.851258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.851258 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.596
local terms energy: -59.242945
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -8.192
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: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -78.325884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.325884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.325884 (E_RNA)
where:
Base-Base interactions energy: -20.571
where: short stacking energy: -16.374
Base-Backbone interact. energy: -1.224
local terms energy: -56.530822
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -80.660137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.660137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.660137 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -27.525
Base-Backbone interact. energy: -0.065
local terms energy: -50.093001
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -203.580898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580898 (E_RNA)
where:
Base-Base interactions energy: -122.152
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.152
local terms energy: -81.276703
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -159.871287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.871287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.871287 (E_RNA)
where:
Base-Base interactions energy: -91.041
where: short stacking energy: -47.870
Base-Backbone interact. energy: -0.012
local terms energy: -68.817883
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -163.653541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.653541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.653541 (E_RNA)
where:
Base-Base interactions energy: -100.653
where: short stacking energy: -52.385
Base-Backbone interact. energy: -0.829
local terms energy: -62.172038
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -174.463232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.463232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.463232 (E_RNA)
where:
Base-Base interactions energy: -103.839
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.002
local terms energy: -70.622628
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -104.802278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.802278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.802278 (E_RNA)
where:
Base-Base interactions energy: -50.144
where: short stacking energy: -38.853
Base-Backbone interact. energy: -0.358
local terms energy: -54.300673
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.334
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: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -98.072709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.072709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.072709 (E_RNA)
where:
Base-Base interactions energy: -44.039
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.091
local terms energy: -53.943196
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.726
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: 259
Temperature: 1.200000
Total energy: -97.188796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.188796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.188796 (E_RNA)
where:
Base-Base interactions energy: -46.483
where: short stacking energy: -35.983
Base-Backbone interact. energy: -0.041
local terms energy: -50.664997
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -3.760
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -81.585102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.585102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.585102 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.171
local terms energy: -49.336699
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -4.808
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: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -85.936043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936043 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.164
local terms energy: -48.794610
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -81.871536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871536 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -30.163
Base-Backbone interact. energy: -0.411
local terms energy: -51.297769
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -205.986859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.986859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.986859 (E_RNA)
where:
Base-Base interactions energy: -121.725
where: short stacking energy: -76.586
Base-Backbone interact. energy: -0.024
local terms energy: -84.238546
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -22.409
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: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -164.872531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.872531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.872531 (E_RNA)
where:
Base-Base interactions energy: -95.572
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.148
local terms energy: -69.152454
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -186.640459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640459 (E_RNA)
where:
Base-Base interactions energy: -108.487
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.097
local terms energy: -78.056964
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -159.672795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.672795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.672795 (E_RNA)
where:
Base-Base interactions energy: -101.045
where: short stacking energy: -44.704
Base-Backbone interact. energy: 0.226
local terms energy: -58.854028
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -99.721893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.721893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.721893 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -33.636
Base-Backbone interact. energy: -0.003
local terms energy: -66.082786
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -111.794786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.794786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.794786 (E_RNA)
where:
Base-Base interactions energy: -56.454
where: short stacking energy: -47.917
Base-Backbone interact. energy: -0.108
local terms energy: -55.232422
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -97.416864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.416864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.416864 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.177
local terms energy: -58.755386
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -6.431
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: 260
Temperature: 1.250000
Total energy: -79.133315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133315 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -20.600
Base-Backbone interact. energy: -0.222
local terms energy: -49.437284
where:
bonds (distance) C4'-P energy: -5.793
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -7.266
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: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.462233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.462233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.462233 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.182
local terms energy: -44.468496
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -11.905
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -77.031515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.031515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.031515 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -14.831
Base-Backbone interact. energy: -0.713
local terms energy: -47.082434
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -200.691275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.691275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.691275 (E_RNA)
where:
Base-Base interactions energy: -116.121
where: short stacking energy: -66.376
Base-Backbone interact. energy: -1.223
local terms energy: -83.347276
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -192.425275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.425275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.425275 (E_RNA)
where:
Base-Base interactions energy: -110.145
where: short stacking energy: -64.698
Base-Backbone interact. energy: -1.052
local terms energy: -81.228098
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.456
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: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -194.277275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.277275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.277275 (E_RNA)
where:
Base-Base interactions energy: -115.307
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.004
local terms energy: -78.966247
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -150.873439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.873439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.873439 (E_RNA)
where:
Base-Base interactions energy: -84.353
where: short stacking energy: -44.977
Base-Backbone interact. energy: 0.759
local terms energy: -67.280333
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.272
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: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -109.678496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.678496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.678496 (E_RNA)
where:
Base-Base interactions energy: -50.705
where: short stacking energy: -36.169
Base-Backbone interact. energy: -0.775
local terms energy: -58.198672
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -106.340872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.340872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.340872 (E_RNA)
where:
Base-Base interactions energy: -49.238
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.664
local terms energy: -56.439038
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -14.001
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: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -99.833744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.833744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.833744 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -39.677
Base-Backbone interact. energy: -0.237
local terms energy: -57.268807
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -6.933
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: 261
Temperature: 1.250000
Total energy: -99.754731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.754731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.754731 (E_RNA)
where:
Base-Base interactions energy: -42.558
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.018
local terms energy: -57.178501
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -81.695767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695767 (E_RNA)
where:
Base-Base interactions energy: -28.672
where: short stacking energy: -15.759
Base-Backbone interact. energy: -0.415
local terms energy: -52.608759
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -79.796254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796254 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -29.161
Base-Backbone interact. energy: -0.267
local terms energy: -42.561166
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -5.366
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -7.747
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: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -203.246848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.246848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.246848 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.012
local terms energy: -80.580035
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.989
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: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -205.948652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.948652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.948652 (E_RNA)
where:
Base-Base interactions energy: -128.531
where: short stacking energy: -78.084
Base-Backbone interact. energy: -0.002
local terms energy: -77.416318
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -200.133595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.133595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.133595 (E_RNA)
where:
Base-Base interactions energy: -117.932
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.000
local terms energy: -82.201360
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -150.603019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.603019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.603019 (E_RNA)
where:
Base-Base interactions energy: -88.455
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.181
local terms energy: -61.966640
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -8.121
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -101.109435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.109435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.109435 (E_RNA)
where:
Base-Base interactions energy: -48.460
where: short stacking energy: -48.451
Base-Backbone interact. energy: -0.086
local terms energy: -52.563028
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -95.531255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.531255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.531255 (E_RNA)
where:
Base-Base interactions energy: -41.116
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.039
local terms energy: -54.376522
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -7.487
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: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -112.502454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.502454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.502454 (E_RNA)
where:
Base-Base interactions energy: -60.951
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.091
local terms energy: -51.461109
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -84.435756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.435756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.435756 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.437
local terms energy: -51.237538
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -82.915577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.915577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.915577 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.155
local terms energy: -45.568079
where:
bonds (distance) C4'-P energy: -5.656
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -80.820750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820750 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -27.551
Base-Backbone interact. energy: 0.273
local terms energy: -45.029176
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -196.094640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.094640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.094640 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.125
local terms energy: -77.727624
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -195.094667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094667 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.076
local terms energy: -80.070898
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -189.729820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.729820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.729820 (E_RNA)
where:
Base-Base interactions energy: -121.805
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.048
local terms energy: -67.876928
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -158.754725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.754725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.754725 (E_RNA)
where:
Base-Base interactions energy: -90.759
where: short stacking energy: -60.631
Base-Backbone interact. energy: -0.029
local terms energy: -67.966408
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -105.827604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.827604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.827604 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -44.639
Base-Backbone interact. energy: -0.025
local terms energy: -61.163920
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -5.324
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -107.226017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.226017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.226017 (E_RNA)
where:
Base-Base interactions energy: -49.060
where: short stacking energy: -38.797
Base-Backbone interact. energy: -1.335
local terms energy: -56.831454
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -85.247217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.247217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.247217 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.083
local terms energy: -48.606633
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -5.607
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -86.713688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.713688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.713688 (E_RNA)
where:
Base-Base interactions energy: -30.657
where: short stacking energy: -20.096
Base-Backbone interact. energy: -0.252
local terms energy: -55.804871
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -13.415
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: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -82.163339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.163339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.163339 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -14.887
Base-Backbone interact. energy: -0.058
local terms energy: -44.382090
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -72.838503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.838503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.838503 (E_RNA)
where:
Base-Base interactions energy: -24.115
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.020
local terms energy: -48.703721
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -196.870270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.870270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870270 (E_RNA)
where:
Base-Base interactions energy: -116.002
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.097
local terms energy: -80.771034
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -196.509696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.509696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.509696 (E_RNA)
where:
Base-Base interactions energy: -121.508
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.038
local terms energy: -74.964133
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -19.972
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -190.722239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.722239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.722239 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.063
local terms energy: -78.410767
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -128.212815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.212815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.212815 (E_RNA)
where:
Base-Base interactions energy: -63.448
where: short stacking energy: -45.251
Base-Backbone interact. energy: -0.544
local terms energy: -64.220946
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.389
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: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -124.510787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.510787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.510787 (E_RNA)
where:
Base-Base interactions energy: -68.309
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.184
local terms energy: -56.018466
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -8.388
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: 264
Temperature: 1.150000
Total energy: -92.653601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653601 (E_RNA)
where:
Base-Base interactions energy: -36.139
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.063
local terms energy: -56.451931
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -90.064759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064759 (E_RNA)
where:
Base-Base interactions energy: -42.415
where: short stacking energy: -41.228
Base-Backbone interact. energy: 0.424
local terms energy: -48.073852
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -84.208012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.208012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.208012 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.092
local terms energy: -47.776485
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -91.127530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.127530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.127530 (E_RNA)
where:
Base-Base interactions energy: -39.177
where: short stacking energy: -25.700
Base-Backbone interact. energy: -0.266
local terms energy: -51.685087
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -84.189199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189199 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.085
local terms energy: -47.303772
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -194.111229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.111229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.111229 (E_RNA)
where:
Base-Base interactions energy: -121.896
where: short stacking energy: -73.736
Base-Backbone interact. energy: -0.000
local terms energy: -72.215238
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -174.690976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690976 (E_RNA)
where:
Base-Base interactions energy: -105.096
where: short stacking energy: -51.766
Base-Backbone interact. energy: 1.452
local terms energy: -71.046560
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -185.624489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.624489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.624489 (E_RNA)
where:
Base-Base interactions energy: -106.935
where: short stacking energy: -59.332
Base-Backbone interact. energy: -1.070
local terms energy: -77.619541
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -131.439880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.439880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.439880 (E_RNA)
where:
Base-Base interactions energy: -62.108
where: short stacking energy: -53.094
Base-Backbone interact. energy: 0.378
local terms energy: -69.709553
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -11.804
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: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -106.396610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.396610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.396610 (E_RNA)
where:
Base-Base interactions energy: -41.020
where: short stacking energy: -37.293
Base-Backbone interact. energy: -0.587
local terms energy: -64.788659
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -8.705
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: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -87.793616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.793616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.793616 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -22.552
Base-Backbone interact. energy: -0.411
local terms energy: -55.783619
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -9.957
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.708101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.708101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.708101 (E_RNA)
where:
Base-Base interactions energy: -34.315
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.130
local terms energy: -58.262803
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -90.517315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517315 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.289
local terms energy: -54.103463
where:
bonds (distance) C4'-P energy: -7.384
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.078
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: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -95.247310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247310 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.155
local terms energy: -52.422726
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -79.015655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.015655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.015655 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.590
local terms energy: -43.160175
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -196.915452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.915452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.915452 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -59.465
Base-Backbone interact. energy: -0.005
local terms energy: -71.807203
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -190.149548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.149548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.149548 (E_RNA)
where:
Base-Base interactions energy: -113.021
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.023
local terms energy: -77.106156
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -11.993
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: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -183.193700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.193700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.193700 (E_RNA)
where:
Base-Base interactions energy: -109.581
where: short stacking energy: -54.701
Base-Backbone interact. energy: -0.499
local terms energy: -73.113585
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -107.930387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.930387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.930387 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -36.709
Base-Backbone interact. energy: -0.121
local terms energy: -65.235816
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -102.727870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.727870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.727870 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -39.467
Base-Backbone interact. energy: -0.020
local terms energy: -61.212275
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.748
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -95.297051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.297051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.297051 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -36.291
Base-Backbone interact. energy: -0.268
local terms energy: -54.882514
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -81.134872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.134872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.134872 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -31.568
Base-Backbone interact. energy: 0.899
local terms energy: -49.495820
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -89.365204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.365204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.365204 (E_RNA)
where:
Base-Base interactions energy: -39.830
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.187
local terms energy: -49.347764
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -77.731385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.731385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.731385 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -22.376
Base-Backbone interact. energy: -0.018
local terms energy: -53.007055
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -71.565730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.565730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.565730 (E_RNA)
where:
Base-Base interactions energy: -21.451
where: short stacking energy: -19.489
Base-Backbone interact. energy: 0.325
local terms energy: -50.439764
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -196.898627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.898627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.898627 (E_RNA)
where:
Base-Base interactions energy: -129.062
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.089
local terms energy: -67.747682
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -198.021221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.021221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.021221 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -76.211
Base-Backbone interact. energy: 2.213
local terms energy: -78.166860
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -176.274381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.274381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.274381 (E_RNA)
where:
Base-Base interactions energy: -104.501
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.150
local terms energy: -71.623018
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -105.488304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488304 (E_RNA)
where:
Base-Base interactions energy: -47.231
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.099
local terms energy: -58.158210
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -8.628
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: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -101.024740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.024740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.024740 (E_RNA)
where:
Base-Base interactions energy: -46.208
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.649
local terms energy: -54.167509
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -6.848
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -97.018390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.018390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.018390 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.697
local terms energy: -59.273306
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -83.921401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921401 (E_RNA)
where:
Base-Base interactions energy: -32.391
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.158
local terms energy: -51.372494
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -95.286839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.286839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.286839 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.411
local terms energy: -49.224673
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -88.816575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816575 (E_RNA)
where:
Base-Base interactions energy: -36.650
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.110
local terms energy: -52.056538
where:
bonds (distance) C4'-P energy: -6.021
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -81.029994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.029994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.029994 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -23.671
Base-Backbone interact. energy: -0.353
local terms energy: -53.833815
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -201.102336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.102336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.102336 (E_RNA)
where:
Base-Base interactions energy: -130.665
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.009
local terms energy: -70.428975
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -199.333903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.333903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.333903 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -75.506
Base-Backbone interact. energy: -0.043
local terms energy: -75.657603
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -187.480209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480209 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.001
local terms energy: -71.650843
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -17.862
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: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -105.521919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.521919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.521919 (E_RNA)
where:
Base-Base interactions energy: -42.167
where: short stacking energy: -42.167
Base-Backbone interact. energy: 0.148
local terms energy: -63.502865
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -8.859
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -112.435539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.435539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.435539 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -51.586
Base-Backbone interact. energy: -0.040
local terms energy: -60.809247
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -10.078
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: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -94.515294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.515294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.515294 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -35.353
Base-Backbone interact. energy: 0.333
local terms energy: -51.462242
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -1.033
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -92.526203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526203 (E_RNA)
where:
Base-Base interactions energy: -36.568
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.064
local terms energy: -55.895117
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -78.351074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.351074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.351074 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.181
local terms energy: -52.434359
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -70.749965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.749965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.749965 (E_RNA)
where:
Base-Base interactions energy: -16.977
where: short stacking energy: -15.501
Base-Backbone interact. energy: -0.248
local terms energy: -53.524932
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: 2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -80.637729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637729 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -24.588
Base-Backbone interact. energy: 1.738
local terms energy: -43.330067
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -197.434756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.434756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.434756 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -70.992
Base-Backbone interact. energy: -0.081
local terms energy: -76.310749
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.658
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -193.211262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.211262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.211262 (E_RNA)
where:
Base-Base interactions energy: -116.857
where: short stacking energy: -70.392
Base-Backbone interact. energy: 0.380
local terms energy: -76.734969
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -180.335238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.335238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.335238 (E_RNA)
where:
Base-Base interactions energy: -107.735
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.194
local terms energy: -72.406252
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -111.958218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.958218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.958218 (E_RNA)
where:
Base-Base interactions energy: -44.324
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.142
local terms energy: -67.492774
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -9.973
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: 269
Temperature: 1.100000
Total energy: -92.877573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.877573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.877573 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -34.809
Base-Backbone interact. energy: -0.280
local terms energy: -57.419400
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -12.399
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: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -99.877607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.877607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.877607 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -32.505
Base-Backbone interact. energy: -0.645
local terms energy: -62.895055
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -9.462
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -95.851405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851405 (E_RNA)
where:
Base-Base interactions energy: -43.659
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.689
local terms energy: -51.503077
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -3.837
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: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -91.706624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.706624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.706624 (E_RNA)
where:
Base-Base interactions energy: -42.242
where: short stacking energy: -35.036
Base-Backbone interact. energy: 1.171
local terms energy: -50.635612
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -80.077047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077047 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -37.693
Base-Backbone interact. energy: -0.111
local terms energy: -42.273007
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: 0.268
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.610478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610478 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -23.536
Base-Backbone interact. energy: -0.003
local terms energy: -53.093460
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -9.304
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: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -199.788241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.788241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.788241 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.028
local terms energy: -72.686989
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -194.159034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.159034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.159034 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -61.778
Base-Backbone interact. energy: 0.308
local terms energy: -79.955923
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -185.883283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.883283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.883283 (E_RNA)
where:
Base-Base interactions energy: -114.237
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.005
local terms energy: -71.640989
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -118.571801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.571801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.571801 (E_RNA)
where:
Base-Base interactions energy: -50.754
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.013
local terms energy: -67.805196
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -115.499276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.499276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.499276 (E_RNA)
where:
Base-Base interactions energy: -58.090
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.087
local terms energy: -57.322237
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -106.198373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.198373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.198373 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.218
local terms energy: -44.655384
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -7.673
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: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -99.473075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.473075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.473075 (E_RNA)
where:
Base-Base interactions energy: -47.767
where: short stacking energy: -43.630
Base-Backbone interact. energy: -0.727
local terms energy: -50.979167
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.330
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -79.810070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.810070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.810070 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -24.070
Base-Backbone interact. energy: -0.312
local terms energy: -45.360170
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -5.433
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: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -74.715513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.715513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.715513 (E_RNA)
where:
Base-Base interactions energy: -23.131
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.192
local terms energy: -51.392398
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -3.881
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: 270
Temperature: 1.350000
Total energy: -76.290430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.290430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.290430 (E_RNA)
where:
Base-Base interactions energy: -30.389
where: short stacking energy: -29.547
Base-Backbone interact. energy: -0.015
local terms energy: -45.886410
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -203.669159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.669159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.669159 (E_RNA)
where:
Base-Base interactions energy: -125.728
where: short stacking energy: -78.613
Base-Backbone interact. energy: -0.003
local terms energy: -77.938331
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -191.150813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.150813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.150813 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -69.197
Base-Backbone interact. energy: -0.003
local terms energy: -73.460387
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -183.827098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.827098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.827098 (E_RNA)
where:
Base-Base interactions energy: -111.099
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.392
local terms energy: -72.335742
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -109.174609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.174609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.174609 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -30.085
Base-Backbone interact. energy: 0.267
local terms energy: -64.609691
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.161
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: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -121.153303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.153303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.153303 (E_RNA)
where:
Base-Base interactions energy: -60.540
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.181
local terms energy: -60.432686
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.800
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: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -95.756557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.756557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.756557 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -28.044
Base-Backbone interact. energy: 0.520
local terms energy: -57.548640
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -3.038
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: 271
Temperature: 1.200000
Total energy: -84.642073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642073 (E_RNA)
where:
Base-Base interactions energy: -28.745
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.094
local terms energy: -55.802481
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -83.718826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.718826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.718826 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -36.742
Base-Backbone interact. energy: -0.102
local terms energy: -41.885862
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.274
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -78.627096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.627096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.627096 (E_RNA)
where:
Base-Base interactions energy: -34.373
where: short stacking energy: -26.867
Base-Backbone interact. energy: -0.237
local terms energy: -44.017221
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -80.475409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.475409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.475409 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.252
local terms energy: -41.852785
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -198.991367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991367 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -72.948
Base-Backbone interact. energy: -1.360
local terms energy: -77.154212
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -197.210792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.210792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.210792 (E_RNA)
where:
Base-Base interactions energy: -120.689
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.118
local terms energy: -76.403604
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -20.992
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: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -182.592562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.592562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.592562 (E_RNA)
where:
Base-Base interactions energy: -113.746
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.171
local terms energy: -68.675082
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -107.225640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.225640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.225640 (E_RNA)
where:
Base-Base interactions energy: -44.234
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.079
local terms energy: -62.912878
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -9.534
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: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -109.987130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.987130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.987130 (E_RNA)
where:
Base-Base interactions energy: -50.785
where: short stacking energy: -38.057
Base-Backbone interact. energy: -0.300
local terms energy: -58.902000
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -12.700
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -96.751109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.751109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.751109 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -44.353
Base-Backbone interact. energy: -0.211
local terms energy: -52.187421
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -94.677634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.677634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.677634 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.578
Base-Backbone interact. energy: -0.453
local terms energy: -56.608317
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -8.403
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: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -99.474737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.474737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.474737 (E_RNA)
where:
Base-Base interactions energy: -45.045
where: short stacking energy: -45.145
Base-Backbone interact. energy: 0.723
local terms energy: -55.152951
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -10.810
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: 272
Temperature: 1.300000
Total energy: -80.026283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.026283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.026283 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.018
local terms energy: -46.362804
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -6.310
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -75.278152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.278152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.278152 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.145
local terms energy: -47.977318
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -1.356
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: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -196.070773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.070773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.070773 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -72.601
Base-Backbone interact. energy: -0.016
local terms energy: -77.586662
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -187.676682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676682 (E_RNA)
where:
Base-Base interactions energy: -112.499
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.001
local terms energy: -75.176554
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -184.126000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.126000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.126000 (E_RNA)
where:
Base-Base interactions energy: -112.748
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.049
local terms energy: -71.328989
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -112.756232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.756232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.756232 (E_RNA)
where:
Base-Base interactions energy: -55.917
where: short stacking energy: -55.917
Base-Backbone interact. energy: 0.598
local terms energy: -57.437250
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -9.795
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: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -108.112101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.112101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.112101 (E_RNA)
where:
Base-Base interactions energy: -56.197
where: short stacking energy: -46.755
Base-Backbone interact. energy: 0.313
local terms energy: -52.227978
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -90.703740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.703740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.703740 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -31.106
Base-Backbone interact. energy: 0.188
local terms energy: -58.251879
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -95.342434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.342434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.342434 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.740
local terms energy: -54.748283
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -84.851254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851254 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.044
local terms energy: -54.010089
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -78.806352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.806352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.806352 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -27.048
Base-Backbone interact. energy: -0.113
local terms energy: -51.105744
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -6.580
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: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -87.616395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.616395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.616395 (E_RNA)
where:
Base-Base interactions energy: -30.061
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.003
local terms energy: -57.552410
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -197.965860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.965860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.965860 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -76.248
Base-Backbone interact. energy: -0.003
local terms energy: -73.529852
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -193.604365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.604365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.604365 (E_RNA)
where:
Base-Base interactions energy: -121.915
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.056
local terms energy: -71.633146
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -178.390803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.390803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.390803 (E_RNA)
where:
Base-Base interactions energy: -106.451
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.001
local terms energy: -71.939080
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -15.020
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -109.157571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.157571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.157571 (E_RNA)
where:
Base-Base interactions energy: -51.010
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.254
local terms energy: -57.893643
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -7.249
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: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -119.270430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.270430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.270430 (E_RNA)
where:
Base-Base interactions energy: -67.569
where: short stacking energy: -39.805
Base-Backbone interact. energy: -0.024
local terms energy: -51.677375
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -96.801234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.801234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.801234 (E_RNA)
where:
Base-Base interactions energy: -37.877
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.035
local terms energy: -58.889352
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -94.649222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.649222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.649222 (E_RNA)
where:
Base-Base interactions energy: -32.230
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.159
local terms energy: -62.259825
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -84.641851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641851 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -22.114
Base-Backbone interact. energy: -0.293
local terms energy: -58.957887
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.209000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.209000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.209000 (E_RNA)
where:
Base-Base interactions energy: -26.430
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.047
local terms energy: -52.731300
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.785757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.785757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.785757 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.235
local terms energy: -43.029475
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -196.226025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.226025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.226025 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.063
local terms energy: -75.130527
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -202.966426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.966426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.966426 (E_RNA)
where:
Base-Base interactions energy: -127.290
where: short stacking energy: -76.091
Base-Backbone interact. energy: 0.103
local terms energy: -75.779747
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.820
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: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -193.793458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.793458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.793458 (E_RNA)
where:
Base-Base interactions energy: -121.450
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.823
local terms energy: -71.520519
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -113.479439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.479439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.479439 (E_RNA)
where:
Base-Base interactions energy: -59.569
where: short stacking energy: -46.107
Base-Backbone interact. energy: -0.159
local terms energy: -53.751384
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -110.348320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.348320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.348320 (E_RNA)
where:
Base-Base interactions energy: -50.485
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.047
local terms energy: -59.816729
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -13.831
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: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -96.837375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.837375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.837375 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.050
local terms energy: -62.337368
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.293
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: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -91.935806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.935806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.935806 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.055
local terms energy: -48.121876
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -6.640
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -86.762274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.762274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.762274 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.754
local terms energy: -46.352089
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -86.288762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.288762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.288762 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -33.486
Base-Backbone interact. energy: 0.450
local terms energy: -49.876004
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -82.716741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716741 (E_RNA)
where:
Base-Base interactions energy: -31.050
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.043
local terms energy: -51.623550
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -6.807
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: 276
Temperature: 0.900000
Total energy: -202.734445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.734445 (E_RNA)
where:
Base-Base interactions energy: -126.067
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.019
local terms energy: -76.648153
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -192.365828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.365828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.365828 (E_RNA)
where:
Base-Base interactions energy: -115.405
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.569
local terms energy: -76.391895
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -190.196415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.196415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.196415 (E_RNA)
where:
Base-Base interactions energy: -123.033
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.016
local terms energy: -67.147487
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -11.217
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: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -114.515080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.515080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.515080 (E_RNA)
where:
Base-Base interactions energy: -51.955
where: short stacking energy: -35.850
Base-Backbone interact. energy: -0.017
local terms energy: -62.543567
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -98.245296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.245296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.245296 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -27.369
Base-Backbone interact. energy: -0.853
local terms energy: -54.784772
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -103.443508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.443508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.443508 (E_RNA)
where:
Base-Base interactions energy: -52.721
where: short stacking energy: -44.256
Base-Backbone interact. energy: 3.032
local terms energy: -53.754632
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -97.272958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.272958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.272958 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.488
local terms energy: -54.876256
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -85.779753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779753 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -21.594
Base-Backbone interact. energy: -0.160
local terms energy: -52.267449
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -76.655707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.655707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.655707 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -30.182
Base-Backbone interact. energy: -0.232
local terms energy: -46.007552
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -85.491651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491651 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.904
Base-Backbone interact. energy: 0.322
local terms energy: -53.909878
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -5.714
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -202.801356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.801356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.801356 (E_RNA)
where:
Base-Base interactions energy: -117.104
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.010
local terms energy: -85.687503
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -190.029963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.029963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.029963 (E_RNA)
where:
Base-Base interactions energy: -114.139
where: short stacking energy: -55.920
Base-Backbone interact. energy: 1.003
local terms energy: -76.894158
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -19.785
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -190.931591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.931591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.931591 (E_RNA)
where:
Base-Base interactions energy: -113.110
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.012
local terms energy: -77.809331
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -14.277
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: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -106.364735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.364735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.364735 (E_RNA)
where:
Base-Base interactions energy: -44.062
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.090
local terms energy: -62.212654
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -108.922143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.922143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.922143 (E_RNA)
where:
Base-Base interactions energy: -47.898
where: short stacking energy: -41.460
Base-Backbone interact. energy: -0.124
local terms energy: -60.900412
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -96.137064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.137064 (E_RNA)
where:
Base-Base interactions energy: -43.679
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.100
local terms energy: -52.357737
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -89.729372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.729372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.729372 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.158
local terms energy: -54.668060
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -78.376617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376617 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.246
local terms energy: -48.742625
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: 2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -76.805437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.805437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.805437 (E_RNA)
where:
Base-Base interactions energy: -23.471
where: short stacking energy: -21.849
Base-Backbone interact. energy: -0.778
local terms energy: -52.556676
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -77.769355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.769355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.769355 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.044
local terms energy: -49.758133
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -3.210
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -204.186755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.186755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.186755 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.197
local terms energy: -64.409100
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -15.654
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -184.255535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.255535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.255535 (E_RNA)
where:
Base-Base interactions energy: -110.738
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.026
local terms energy: -73.491791
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -182.500726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.500726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500726 (E_RNA)
where:
Base-Base interactions energy: -115.732
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.017
local terms energy: -66.751791
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -14.645
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: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -108.588019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.588019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.588019 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -47.824
Base-Backbone interact. energy: -0.115
local terms energy: -61.349137
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -105.072798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.072798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.072798 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -40.201
Base-Backbone interact. energy: -0.004
local terms energy: -64.868100
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -83.128489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128489 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -32.863
Base-Backbone interact. energy: 0.328
local terms energy: -48.714436
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -94.971010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971010 (E_RNA)
where:
Base-Base interactions energy: -49.803
where: short stacking energy: -20.914
Base-Backbone interact. energy: -0.097
local terms energy: -45.070374
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -7.486
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: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -84.905394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.905394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.905394 (E_RNA)
where:
Base-Base interactions energy: -31.552
where: short stacking energy: -26.910
Base-Backbone interact. energy: 0.970
local terms energy: -54.323846
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.549
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: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -79.684030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.684030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.684030 (E_RNA)
where:
Base-Base interactions energy: -30.294
where: short stacking energy: -28.940
Base-Backbone interact. energy: -0.125
local terms energy: -49.265098
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -85.251550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251550 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -30.619
Base-Backbone interact. energy: -0.027
local terms energy: -54.605681
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -7.113
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: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -216.788989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.788989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.788989 (E_RNA)
where:
Base-Base interactions energy: -142.318
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.162
local terms energy: -74.309379
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -16.351
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -182.607695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.607695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.607695 (E_RNA)
where:
Base-Base interactions energy: -115.119
where: short stacking energy: -68.027
Base-Backbone interact. energy: -0.033
local terms energy: -67.455257
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -189.195641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.195641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.195641 (E_RNA)
where:
Base-Base interactions energy: -118.928
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.603
local terms energy: -69.664912
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -113.209712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.209712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.209712 (E_RNA)
where:
Base-Base interactions energy: -48.628
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.043
local terms energy: -64.538860
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -11.302
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: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -100.674898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674898 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.012
local terms energy: -57.270281
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -6.117
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -103.599058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.599058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.599058 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.183
local terms energy: -59.739189
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -5.959
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: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -88.452202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452202 (E_RNA)
where:
Base-Base interactions energy: -41.234
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.061
local terms energy: -47.157284
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -90.018431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018431 (E_RNA)
where:
Base-Base interactions energy: -37.674
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.051
local terms energy: -52.293755
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -75.000253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.000253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.000253 (E_RNA)
where:
Base-Base interactions energy: -28.441
where: short stacking energy: -24.549
Base-Backbone interact. energy: -0.331
local terms energy: -46.228961
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -95.067401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.067401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.067401 (E_RNA)
where:
Base-Base interactions energy: -43.961
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.224
local terms energy: -50.881661
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -207.748970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.748970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.748970 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.018
local terms energy: -73.816772
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -178.183372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183372 (E_RNA)
where:
Base-Base interactions energy: -103.432
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.051
local terms energy: -74.700444
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -187.440249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.440249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.440249 (E_RNA)
where:
Base-Base interactions energy: -112.685
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.063
local terms energy: -74.692034
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -116.212281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.212281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.212281 (E_RNA)
where:
Base-Base interactions energy: -49.916
where: short stacking energy: -41.377
Base-Backbone interact. energy: -1.147
local terms energy: -65.149958
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -11.418
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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -107.806469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.806469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.806469 (E_RNA)
where:
Base-Base interactions energy: -45.603
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.022
local terms energy: -62.180966
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -8.626
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: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -99.452804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.452804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.452804 (E_RNA)
where:
Base-Base interactions energy: -46.320
where: short stacking energy: -35.814
Base-Backbone interact. energy: 0.295
local terms energy: -53.427570
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -92.295903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.295903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.295903 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -35.781
Base-Backbone interact. energy: -0.028
local terms energy: -47.437719
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -2.441
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -88.640417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640417 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -34.218
Base-Backbone interact. energy: -0.102
local terms energy: -54.320598
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.663
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: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.506478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.506478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.506478 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -34.793
Base-Backbone interact. energy: -0.132
local terms energy: -50.581433
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -77.658500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.658500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.658500 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -19.122
Base-Backbone interact. energy: -0.047
local terms energy: -41.794501
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -205.879541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.879541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.879541 (E_RNA)
where:
Base-Base interactions energy: -134.143
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.190
local terms energy: -71.546291
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -193.549441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.549441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.549441 (E_RNA)
where:
Base-Base interactions energy: -114.906
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.077
local terms energy: -78.566051
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.530
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: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -180.358679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.358679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.358679 (E_RNA)
where:
Base-Base interactions energy: -109.701
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.484
local terms energy: -70.173787
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.854
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -121.140296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.140296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.140296 (E_RNA)
where:
Base-Base interactions energy: -67.882
where: short stacking energy: -30.469
Base-Backbone interact. energy: -0.243
local terms energy: -53.016075
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -94.056908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056908 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -32.677
Base-Backbone interact. energy: 1.396
local terms energy: -58.241853
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -96.429943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429943 (E_RNA)
where:
Base-Base interactions energy: -44.746
where: short stacking energy: -42.857
Base-Backbone interact. energy: -0.024
local terms energy: -51.659937
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -94.298950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.298950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.298950 (E_RNA)
where:
Base-Base interactions energy: -52.642
where: short stacking energy: -31.874
Base-Backbone interact. energy: -0.054
local terms energy: -41.602996
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -90.727926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.727926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.727926 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.064
local terms energy: -58.699928
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -91.424077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424077 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -36.416
Base-Backbone interact. energy: -0.201
local terms energy: -54.807173
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -71.195972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.195972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.195972 (E_RNA)
where:
Base-Base interactions energy: -21.999
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.153
local terms energy: -49.043976
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.242
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: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -200.825373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.825373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.825373 (E_RNA)
where:
Base-Base interactions energy: -115.606
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.006
local terms energy: -85.213017
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -197.823224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.823224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.823224 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.001
local terms energy: -70.741481
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -136.416616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.416616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.416616 (E_RNA)
where:
Base-Base interactions energy: -73.405
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.330
local terms energy: -62.682576
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -177.054384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.054384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.054384 (E_RNA)
where:
Base-Base interactions energy: -107.987
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.002
local terms energy: -69.066152
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -12.189
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -111.591726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.591726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.591726 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.555
local terms energy: -60.022574
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -97.156520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.156520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.156520 (E_RNA)
where:
Base-Base interactions energy: -46.660
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.313
local terms energy: -50.183272
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -87.903064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903064 (E_RNA)
where:
Base-Base interactions energy: -33.813
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.070
local terms energy: -54.019962
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -92.370951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.370951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.370951 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -30.941
Base-Backbone interact. energy: -0.056
local terms energy: -60.799832
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -9.303
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -74.973296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.973296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.973296 (E_RNA)
where:
Base-Base interactions energy: -29.016
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.033
local terms energy: -45.924716
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -70.675881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.675881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.675881 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.065
local terms energy: -44.230196
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -202.887621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.887621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.887621 (E_RNA)
where:
Base-Base interactions energy: -119.458
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.535
local terms energy: -82.894613
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -23.530
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: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -192.030955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.030955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.030955 (E_RNA)
where:
Base-Base interactions energy: -113.753
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.267
local terms energy: -78.010570
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -132.796950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.796950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.796950 (E_RNA)
where:
Base-Base interactions energy: -73.025
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.121
local terms energy: -59.651288
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -188.412770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.412770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.412770 (E_RNA)
where:
Base-Base interactions energy: -113.949
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.088
local terms energy: -74.375864
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -107.482432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.482432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.482432 (E_RNA)
where:
Base-Base interactions energy: -50.422
where: short stacking energy: -32.204
Base-Backbone interact. energy: 0.162
local terms energy: -57.222869
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -96.459218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.459218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.459218 (E_RNA)
where:
Base-Base interactions energy: -38.632
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.007
local terms energy: -57.819629
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -106.690425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.690425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.690425 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -41.086
Base-Backbone interact. energy: -0.091
local terms energy: -63.225018
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.136
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: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -92.315859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.315859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.315859 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.149
local terms energy: -52.166434
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -10.967
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: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -77.309622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.309622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.309622 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -26.557
Base-Backbone interact. energy: 0.663
local terms energy: -48.112127
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -6.298
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: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -75.464390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.464390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.464390 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.957
local terms energy: -42.875362
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -203.020151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.020151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020151 (E_RNA)
where:
Base-Base interactions energy: -123.066
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.024
local terms energy: -79.930515
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -190.494239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.494239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.494239 (E_RNA)
where:
Base-Base interactions energy: -119.165
where: short stacking energy: -72.644
Base-Backbone interact. energy: 0.799
local terms energy: -72.128171
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -19.039
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: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -187.303569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.303569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.303569 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -70.302
Base-Backbone interact. energy: -0.098
local terms energy: -70.511003
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -104.362482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.362482 (E_RNA)
where:
Base-Base interactions energy: -47.355
where: short stacking energy: -47.355
Base-Backbone interact. energy: -0.288
local terms energy: -56.719632
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -107.595916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.595916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.595916 (E_RNA)
where:
Base-Base interactions energy: -47.532
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.004
local terms energy: -60.059196
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -105.997315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.997315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.997315 (E_RNA)
where:
Base-Base interactions energy: -47.816
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.031
local terms energy: -58.150420
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -96.255571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.255571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.255571 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -40.620
Base-Backbone interact. energy: -0.000
local terms energy: -55.635653
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -92.778303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.778303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.778303 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.049
local terms energy: -60.569176
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.704
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: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -93.341494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341494 (E_RNA)
where:
Base-Base interactions energy: -41.525
where: short stacking energy: -31.635
Base-Backbone interact. energy: 0.029
local terms energy: -51.845259
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -70.422182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.422182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.422182 (E_RNA)
where:
Base-Base interactions energy: -26.701
where: short stacking energy: -20.150
Base-Backbone interact. energy: 3.136
local terms energy: -46.857276
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.572
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: 285
Temperature: 0.900000
Total energy: -201.872660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.872660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.872660 (E_RNA)
where:
Base-Base interactions energy: -122.985
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.000
local terms energy: -78.887478
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -192.118621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.118621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.118621 (E_RNA)
where:
Base-Base interactions energy: -117.479
where: short stacking energy: -60.663
Base-Backbone interact. energy: 2.165
local terms energy: -76.805329
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -182.733621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.733621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.733621 (E_RNA)
where:
Base-Base interactions energy: -116.623
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.432
local terms energy: -65.679074
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -123.663617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.663617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.663617 (E_RNA)
where:
Base-Base interactions energy: -57.977
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.507
local terms energy: -65.179396
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -18.780
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: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -108.804587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.804587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.804587 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.387
local terms energy: -59.088395
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -3.719
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -12.966
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -93.418720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.418720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.418720 (E_RNA)
where:
Base-Base interactions energy: -41.313
where: short stacking energy: -37.729
Base-Backbone interact. energy: 0.177
local terms energy: -52.283149
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -2.001
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: 285
Temperature: 1.200000
Total energy: -93.857667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.857667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.857667 (E_RNA)
where:
Base-Base interactions energy: -38.743
where: short stacking energy: -38.743
Base-Backbone interact. energy: -0.145
local terms energy: -54.969042
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -8.939
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: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -84.851922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851922 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -34.760
Base-Backbone interact. energy: 1.567
local terms energy: -51.658456
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -4.853
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: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -87.766781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766781 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.268
local terms energy: -45.662920
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -0.508
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -83.450197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450197 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.091
local terms energy: -52.371108
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -7.088
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: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -202.504958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504958 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.079
local terms energy: -75.844097
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -193.703080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.703080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.703080 (E_RNA)
where:
Base-Base interactions energy: -117.071
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.011
local terms energy: -76.621182
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -20.969
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: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -192.547381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.547381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.547381 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -66.411
Base-Backbone interact. energy: -0.007
local terms energy: -71.430953
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -128.953887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.953887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.953887 (E_RNA)
where:
Base-Base interactions energy: -62.034
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.002
local terms energy: -66.917386
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -106.806911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.806911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.806911 (E_RNA)
where:
Base-Base interactions energy: -49.034
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.142
local terms energy: -57.630261
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -3.130
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -88.411590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411590 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.069
local terms energy: -51.278317
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -5.950
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: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -91.185891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185891 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.556
Base-Backbone interact. energy: 0.804
local terms energy: -58.433737
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -89.919911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.919911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.919911 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.345
local terms energy: -49.900637
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -86.634450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.634450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.634450 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.004
local terms energy: -53.091286
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -0.126
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -72.525922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.525922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.525922 (E_RNA)
where:
Base-Base interactions energy: -18.801
where: short stacking energy: -18.801
Base-Backbone interact. energy: -0.710
local terms energy: -53.014663
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -193.076887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.076887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.076887 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.254
local terms energy: -68.277008
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -179.163386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.163386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.163386 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.188
local terms energy: -73.180734
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -14.349
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: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -187.758695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.758695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.758695 (E_RNA)
where:
Base-Base interactions energy: -111.967
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.025
local terms energy: -75.766375
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -116.191319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.191319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.191319 (E_RNA)
where:
Base-Base interactions energy: -58.557
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.267
local terms energy: -57.367090
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -104.205475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.205475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.205475 (E_RNA)
where:
Base-Base interactions energy: -42.718
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.166
local terms energy: -61.321228
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -5.935
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -101.917614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.917614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.917614 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -34.919
Base-Backbone interact. energy: -0.406
local terms energy: -57.947684
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.902
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -86.330544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330544 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.027
local terms energy: -50.467618
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -3.534
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: 287
Temperature: 1.250000
Total energy: -85.533521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.533521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.533521 (E_RNA)
where:
Base-Base interactions energy: -33.195
where: short stacking energy: -29.178
Base-Backbone interact. energy: 0.541
local terms energy: -52.878671
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -75.094204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.094204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.094204 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -25.108
Base-Backbone interact. energy: -0.189
local terms energy: -37.750856
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: 2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.897656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.897656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.897656 (E_RNA)
where:
Base-Base interactions energy: -25.952
where: short stacking energy: -14.070
Base-Backbone interact. energy: -0.338
local terms energy: -47.607866
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -206.002538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.002538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.002538 (E_RNA)
where:
Base-Base interactions energy: -127.166
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.014
local terms energy: -78.822357
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -182.643841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.643841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643841 (E_RNA)
where:
Base-Base interactions energy: -117.949
where: short stacking energy: -62.933
Base-Backbone interact. energy: 0.459
local terms energy: -65.153011
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -194.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.346740 (E_RNA)
where:
Base-Base interactions energy: -118.408
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.000
local terms energy: -75.938278
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -112.107959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.107959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.107959 (E_RNA)
where:
Base-Base interactions energy: -50.032
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.142
local terms energy: -61.933437
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -8.014
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -104.424199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.424199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.424199 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.090
local terms energy: -61.436230
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -10.140
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: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -109.130183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.130183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.130183 (E_RNA)
where:
Base-Base interactions energy: -46.727
where: short stacking energy: -34.763
Base-Backbone interact. energy: -2.415
local terms energy: -59.988294
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -96.287612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.287612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.287612 (E_RNA)
where:
Base-Base interactions energy: -51.667
where: short stacking energy: -30.717
Base-Backbone interact. energy: 2.552
local terms energy: -47.172565
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -4.293
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: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -110.235811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.235811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.235811 (E_RNA)
where:
Base-Base interactions energy: -48.146
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.001
local terms energy: -62.088943
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -84.833804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833804 (E_RNA)
where:
Base-Base interactions energy: -34.205
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.111
local terms energy: -50.517338
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.255
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: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -72.725723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.725723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.725723 (E_RNA)
where:
Base-Base interactions energy: -26.814
where: short stacking energy: -26.694
Base-Backbone interact. energy: -0.070
local terms energy: -45.841949
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -6.228
flat angles P-C4'-P energy: -9.871
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: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -201.943838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.943838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.943838 (E_RNA)
where:
Base-Base interactions energy: -131.375
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.212
local terms energy: -70.356544
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.494
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: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -183.348273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.348273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.348273 (E_RNA)
where:
Base-Base interactions energy: -112.784
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.127
local terms energy: -70.438203
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -186.259023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259023 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.003
local terms energy: -66.141339
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -10.836
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: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -117.480609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.480609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.480609 (E_RNA)
where:
Base-Base interactions energy: -56.777
where: short stacking energy: -40.281
Base-Backbone interact. energy: 0.315
local terms energy: -61.018676
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -5.198
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -104.117423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.117423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.117423 (E_RNA)
where:
Base-Base interactions energy: -48.999
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.126
local terms energy: -54.992305
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.182
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: 289
Temperature: 1.150000
Total energy: -97.070717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070717 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.199
local terms energy: -57.899048
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -90.961774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961774 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -32.485
Base-Backbone interact. energy: -0.074
local terms energy: -53.290931
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -83.095268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095268 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.439
local terms energy: -44.424567
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -89.217027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.217027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.217027 (E_RNA)
where:
Base-Base interactions energy: -40.156
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.291
local terms energy: -48.770195
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -7.674
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: 289
Temperature: 1.350000
Total energy: -76.858651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.858651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.858651 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -18.375
Base-Backbone interact. energy: -0.208
local terms energy: -44.533359
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -8.078
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: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -200.073169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.073169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.073169 (E_RNA)
where:
Base-Base interactions energy: -121.252
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.216
local terms energy: -78.604661
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -198.770294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.770294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.770294 (E_RNA)
where:
Base-Base interactions energy: -125.693
where: short stacking energy: -72.038
Base-Backbone interact. energy: -1.071
local terms energy: -72.005810
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -191.774352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774352 (E_RNA)
where:
Base-Base interactions energy: -118.848
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.102
local terms energy: -72.824298
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -18.263
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: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -110.151633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.151633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.151633 (E_RNA)
where:
Base-Base interactions energy: -45.218
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.122
local terms energy: -64.812073
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.692
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: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -97.982015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.982015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.982015 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.107
local terms energy: -51.568921
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -102.172240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.172240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.172240 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.185
local terms energy: -56.884452
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -88.412706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412706 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.642
local terms energy: -47.448986
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -87.468768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468768 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.076
local terms energy: -52.855089
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -75.767587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.767587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.767587 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -23.096
Base-Backbone interact. energy: -0.286
local terms energy: -43.914340
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: 3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -80.164452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.164452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.164452 (E_RNA)
where:
Base-Base interactions energy: -24.266
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.054
local terms energy: -55.844867
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.820
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -201.714994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.714994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.714994 (E_RNA)
where:
Base-Base interactions energy: -122.690
where: short stacking energy: -72.503
Base-Backbone interact. energy: -0.009
local terms energy: -79.015691
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -13.457
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: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -191.728544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728544 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.172
local terms energy: -74.654079
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -16.842
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: 291
Temperature: 1.000000
Total energy: -191.403283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.403283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.403283 (E_RNA)
where:
Base-Base interactions energy: -116.562
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.096
local terms energy: -74.745082
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -110.403324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.403324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.403324 (E_RNA)
where:
Base-Base interactions energy: -45.596
where: short stacking energy: -45.596
Base-Backbone interact. energy: -0.159
local terms energy: -64.648858
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -104.309756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309756 (E_RNA)
where:
Base-Base interactions energy: -53.779
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.197
local terms energy: -50.334088
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -94.074980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.074980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.074980 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -30.458
Base-Backbone interact. energy: -0.038
local terms energy: -63.579194
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -7.550
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: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -99.107242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.107242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.107242 (E_RNA)
where:
Base-Base interactions energy: -61.466
where: short stacking energy: -30.630
Base-Backbone interact. energy: 1.596
local terms energy: -39.236977
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: 0.200
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: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -92.026612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.026612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.026612 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -37.183
Base-Backbone interact. energy: -0.277
local terms energy: -49.313971
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -8.030
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -7.499
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: 291
Temperature: 1.300000
Total energy: -76.209123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.209123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.209123 (E_RNA)
where:
Base-Base interactions energy: -25.752
where: short stacking energy: -21.211
Base-Backbone interact. energy: 0.438
local terms energy: -50.895083
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -4.596
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: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.501379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.501379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.501379 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -12.855
Base-Backbone interact. energy: -0.528
local terms energy: -45.349605
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -9.111
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -203.475916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.475916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.475916 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -71.385
Base-Backbone interact. energy: 1.232
local terms energy: -80.938127
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -200.268785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.268785 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -68.154
Base-Backbone interact. energy: -0.003
local terms energy: -79.855439
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -7.725
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: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -198.118564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.118564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.118564 (E_RNA)
where:
Base-Base interactions energy: -120.996
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.672
local terms energy: -76.450667
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -18.928
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: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -118.385560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.385560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.385560 (E_RNA)
where:
Base-Base interactions energy: -51.980
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.012
local terms energy: -66.392821
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -12.162
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: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -101.543385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.543385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.543385 (E_RNA)
where:
Base-Base interactions energy: -47.421
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.388
local terms energy: -53.734316
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -10.568
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: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -101.295677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295677 (E_RNA)
where:
Base-Base interactions energy: -40.057
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.047
local terms energy: -61.192060
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -5.919
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: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -93.109473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.109473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.109473 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.079
local terms energy: -53.318551
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -1.679
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: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -87.598993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598993 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -21.062
Base-Backbone interact. energy: -0.226
local terms energy: -53.180001
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.600
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: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -79.478899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.478899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.478899 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -21.837
Base-Backbone interact. energy: -0.126
local terms energy: -41.185161
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -81.362827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362827 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.100
local terms energy: -49.544710
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -201.899010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.899010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.899010 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -69.515
Base-Backbone interact. energy: -0.040
local terms energy: -75.950984
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -200.104508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.104508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.104508 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -67.496
Base-Backbone interact. energy: -2.037
local terms energy: -80.054877
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -192.865169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.865169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.865169 (E_RNA)
where:
Base-Base interactions energy: -116.574
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.096
local terms energy: -76.195502
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -113.961496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961496 (E_RNA)
where:
Base-Base interactions energy: -58.425
where: short stacking energy: -42.462
Base-Backbone interact. energy: 0.357
local terms energy: -55.893882
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -116.443370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.443370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.443370 (E_RNA)
where:
Base-Base interactions energy: -61.827
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.229
local terms energy: -54.387517
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -119.287061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.287061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.287061 (E_RNA)
where:
Base-Base interactions energy: -53.339
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.098
local terms energy: -65.849683
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -96.047144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.047144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.047144 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -39.024
Base-Backbone interact. energy: -0.074
local terms energy: -56.949202
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -6.167
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: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -85.112070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112070 (E_RNA)
where:
Base-Base interactions energy: -38.053
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.223
local terms energy: -46.835436
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -84.458627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.458627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.458627 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.058
local terms energy: -54.588952
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -73.095444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.095444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.095444 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.555
local terms energy: -44.340052
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -4.997
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: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -199.622883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.622883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.622883 (E_RNA)
where:
Base-Base interactions energy: -125.991
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.015
local terms energy: -73.616528
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -195.582723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.582723 (E_RNA)
where:
Base-Base interactions energy: -118.454
where: short stacking energy: -67.644
Base-Backbone interact. energy: -0.608
local terms energy: -76.521595
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -19.671
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: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -198.934893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.934893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.934893 (E_RNA)
where:
Base-Base interactions energy: -117.060
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.001
local terms energy: -81.873464
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -127.129464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.129464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.129464 (E_RNA)
where:
Base-Base interactions energy: -65.558
where: short stacking energy: -40.086
Base-Backbone interact. energy: -0.110
local terms energy: -61.461358
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -12.852
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: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -107.443768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.443768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.443768 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.847
local terms energy: -57.318030
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -4.686
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: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -108.125212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125212 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.131
local terms energy: -56.504067
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -103.403508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.403508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.403508 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -30.624
Base-Backbone interact. energy: -0.041
local terms energy: -60.783077
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -87.858562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.858562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.858562 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -36.158
Base-Backbone interact. energy: -0.046
local terms energy: -51.654290
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -8.140
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -76.215050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.215050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.215050 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.192
local terms energy: -43.612150
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -85.936194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936194 (E_RNA)
where:
Base-Base interactions energy: -31.097
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.029
local terms energy: -54.810362
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -7.784
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: 295
Temperature: 0.900000
Total energy: -205.327722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327722 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.235
local terms energy: -82.682742
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -203.801868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.801868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.801868 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -70.325
Base-Backbone interact. energy: -0.067
local terms energy: -77.679520
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.486
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: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -184.603837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603837 (E_RNA)
where:
Base-Base interactions energy: -117.515
where: short stacking energy: -57.212
Base-Backbone interact. energy: -0.095
local terms energy: -66.994266
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -128.914385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.914385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.914385 (E_RNA)
where:
Base-Base interactions energy: -60.255
where: short stacking energy: -48.134
Base-Backbone interact. energy: -0.007
local terms energy: -68.652832
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -93.014203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.014203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.014203 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.084
local terms energy: -55.057788
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -93.613095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.613095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.613095 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.060
local terms energy: -57.884760
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -4.284
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: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -86.571941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571941 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.362
local terms energy: -44.945030
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: 3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -98.057472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.057472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.057472 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.286
local terms energy: -57.129273
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.396
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -78.090703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.090703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.090703 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.108
local terms energy: -49.940396
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.809333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809333 (E_RNA)
where:
Base-Base interactions energy: -28.596
where: short stacking energy: -28.596
Base-Backbone interact. energy: -0.068
local terms energy: -55.145764
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -196.526490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.526490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.526490 (E_RNA)
where:
Base-Base interactions energy: -114.220
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.277
local terms energy: -82.029738
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -200.452259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452259 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.026
local terms energy: -81.073556
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -180.295068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.295068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.295068 (E_RNA)
where:
Base-Base interactions energy: -107.961
where: short stacking energy: -63.585
Base-Backbone interact. energy: -1.153
local terms energy: -71.181427
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -141.035239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.035239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.035239 (E_RNA)
where:
Base-Base interactions energy: -73.696
where: short stacking energy: -51.087
Base-Backbone interact. energy: 0.394
local terms energy: -67.733359
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -107.839094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839094 (E_RNA)
where:
Base-Base interactions energy: -50.278
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.714
local terms energy: -56.847180
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -4.501
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: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -97.545632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.545632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.545632 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.234
local terms energy: -62.863484
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -92.086089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086089 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.125
local terms energy: -57.772043
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -6.797
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -81.404624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.404624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.404624 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.108
local terms energy: -53.759712
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.987
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -80.267231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.267231 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.095
local terms energy: -46.452416
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -84.138004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138004 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -21.948
Base-Backbone interact. energy: -0.353
local terms energy: -50.511290
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -204.007571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.007571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.007571 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -76.684
Base-Backbone interact. energy: -0.003
local terms energy: -79.387160
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -197.274469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.274469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.274469 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.001
local terms energy: -75.409513
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -186.605866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605866 (E_RNA)
where:
Base-Base interactions energy: -115.818
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.113
local terms energy: -70.675171
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -118.987627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.987627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.987627 (E_RNA)
where:
Base-Base interactions energy: -62.859
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.008
local terms energy: -56.120830
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -110.594279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.594279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.594279 (E_RNA)
where:
Base-Base interactions energy: -60.149
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.033
local terms energy: -50.412798
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -96.158013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158013 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -39.138
Base-Backbone interact. energy: 2.570
local terms energy: -51.206811
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -97.120151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120151 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.147
local terms energy: -47.813836
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -4.790
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -85.157378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157378 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.004
local terms energy: -51.623361
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -11.441
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: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -74.508920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.508920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.508920 (E_RNA)
where:
Base-Base interactions energy: -26.098
where: short stacking energy: -26.488
Base-Backbone interact. energy: 0.414
local terms energy: -48.825186
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -72.281195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.281195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.281195 (E_RNA)
where:
Base-Base interactions energy: -27.623
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.255
local terms energy: -44.402915
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -7.322
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: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -199.493967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.493967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.493967 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.012
local terms energy: -78.389156
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -194.269100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269100 (E_RNA)
where:
Base-Base interactions energy: -115.650
where: short stacking energy: -70.329
Base-Backbone interact. energy: -0.205
local terms energy: -78.414026
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -19.887
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: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -173.139751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.139751 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.029
local terms energy: -71.848939
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -19.506
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: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -93.255210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.255210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.255210 (E_RNA)
where:
Base-Base interactions energy: -47.547
where: short stacking energy: -27.063
Base-Backbone interact. energy: -0.246
local terms energy: -45.462079
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: 1.480
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -108.616768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.616768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.616768 (E_RNA)
where:
Base-Base interactions energy: -47.995
where: short stacking energy: -38.927
Base-Backbone interact. energy: -1.280
local terms energy: -59.341644
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -3.304
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: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -108.685176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.685176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.685176 (E_RNA)
where:
Base-Base interactions energy: -52.517
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.000
local terms energy: -56.167969
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -87.450637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.450637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.450637 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.433
local terms energy: -53.709063
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -6.072
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: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -92.493922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.493922 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.104
local terms energy: -56.360227
where:
bonds (distance) C4'-P energy: -5.176
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.651
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -79.596685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.596685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.596685 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -15.840
Base-Backbone interact. energy: 0.106
local terms energy: -44.596865
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -9.555
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: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -76.908606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.908606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.908606 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -29.040
Base-Backbone interact. energy: 0.933
local terms energy: -45.699458
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -200.284978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284978 (E_RNA)
where:
Base-Base interactions energy: -120.871
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.018
local terms energy: -79.396328
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -199.218695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218695 (E_RNA)
where:
Base-Base interactions energy: -122.260
where: short stacking energy: -71.620
Base-Backbone interact. energy: -0.034
local terms energy: -76.924795
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.369
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: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -194.955950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.955950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.955950 (E_RNA)
where:
Base-Base interactions energy: -122.148
where: short stacking energy: -74.975
Base-Backbone interact. energy: -1.072
local terms energy: -71.735947
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -121.633863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.633863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.633863 (E_RNA)
where:
Base-Base interactions energy: -64.821
where: short stacking energy: -42.359
Base-Backbone interact. energy: -0.874
local terms energy: -55.939241
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.569
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: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -121.420771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.420771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.420771 (E_RNA)
where:
Base-Base interactions energy: -69.627
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.051
local terms energy: -51.742838
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -8.869
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: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -100.250161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250161 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -39.108
Base-Backbone interact. energy: -0.293
local terms energy: -54.515500
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -90.885513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.885513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.885513 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.009
local terms energy: -56.041993
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.057
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -79.361726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.361726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.361726 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -23.135
Base-Backbone interact. energy: -0.183
local terms energy: -45.381828
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: 1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -92.728519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.728519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.728519 (E_RNA)
where:
Base-Base interactions energy: -41.776
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.804
local terms energy: -50.149137
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -85.590522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.590522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.590522 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -25.412
Base-Backbone interact. energy: -0.195
local terms energy: -52.644752
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -186.328123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328123 (E_RNA)
where:
Base-Base interactions energy: -113.505
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.271
local terms energy: -72.552383
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -196.472496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472496 (E_RNA)
where:
Base-Base interactions energy: -120.704
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.003
local terms energy: -75.766029
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -185.573116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573116 (E_RNA)
where:
Base-Base interactions energy: -119.826
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.292
local terms energy: -65.454245
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.879
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: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -126.414483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.414483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.414483 (E_RNA)
where:
Base-Base interactions energy: -67.647
where: short stacking energy: -42.585
Base-Backbone interact. energy: 1.635
local terms energy: -60.402742
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -103.996112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.996112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.996112 (E_RNA)
where:
Base-Base interactions energy: -47.820
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.189
local terms energy: -55.987031
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -101.170012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.170012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.170012 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -41.290
Base-Backbone interact. energy: -0.110
local terms energy: -59.769793
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -10.190
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: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -87.864632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864632 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.303
local terms energy: -52.165829
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.371013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.371013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.371013 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.033
local terms energy: -59.234633
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -86.039840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039840 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.037
local terms energy: -53.492049
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -80.090034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090034 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.171
local terms energy: -45.932391
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -2.460
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -182.445036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.445036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.445036 (E_RNA)
where:
Base-Base interactions energy: -106.340
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.101
local terms energy: -76.004140
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -198.308805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.308805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.308805 (E_RNA)
where:
Base-Base interactions energy: -118.728
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.280
local terms energy: -79.301517
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -202.588444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.588444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.588444 (E_RNA)
where:
Base-Base interactions energy: -129.308
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.064
local terms energy: -73.216107
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -97.558975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.558975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.558975 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.150
local terms energy: -63.523458
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -98.770272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.770272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.770272 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.133
local terms energy: -57.330088
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -90.089481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089481 (E_RNA)
where:
Base-Base interactions energy: -38.162
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.212
local terms energy: -51.715939
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -99.534766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534766 (E_RNA)
where:
Base-Base interactions energy: -38.190
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.058
local terms energy: -61.286597
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -77.688276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.688276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.688276 (E_RNA)
where:
Base-Base interactions energy: -23.589
where: short stacking energy: -20.241
Base-Backbone interact. energy: -0.319
local terms energy: -53.780510
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: 2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -74.747056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.747056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.747056 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -26.836
Base-Backbone interact. energy: -0.176
local terms energy: -46.681772
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -6.511
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: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -73.397357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.397357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.397357 (E_RNA)
where:
Base-Base interactions energy: -30.917
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.055
local terms energy: -42.424888
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -200.117129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.117129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.117129 (E_RNA)
where:
Base-Base interactions energy: -125.558
where: short stacking energy: -68.440
Base-Backbone interact. energy: 0.781
local terms energy: -75.339719
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -177.334770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.334770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.334770 (E_RNA)
where:
Base-Base interactions energy: -112.276
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.221
local terms energy: -64.837057
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -193.264501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.264501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.264501 (E_RNA)
where:
Base-Base interactions energy: -122.420
where: short stacking energy: -65.868
Base-Backbone interact. energy: 2.460
local terms energy: -73.304245
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -115.888105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.888105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.888105 (E_RNA)
where:
Base-Base interactions energy: -53.931
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.122
local terms energy: -61.835380
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.876
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -102.956648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.956648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.956648 (E_RNA)
where:
Base-Base interactions energy: -47.746
where: short stacking energy: -46.135
Base-Backbone interact. energy: -0.038
local terms energy: -55.172964
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -6.904
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -116.640605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.640605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.640605 (E_RNA)
where:
Base-Base interactions energy: -59.463
where: short stacking energy: -40.117
Base-Backbone interact. energy: -1.464
local terms energy: -55.713788
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -6.710
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: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -88.685818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.685818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.685818 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.027
local terms energy: -50.945615
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -81.207808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.207808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.207808 (E_RNA)
where:
Base-Base interactions energy: -29.203
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.137
local terms energy: -51.868432
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -78.710808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.710808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.710808 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.123
local terms energy: -46.712173
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -8.529
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -4.176
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: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -66.988012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.988012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.988012 (E_RNA)
where:
Base-Base interactions energy: -23.637
where: short stacking energy: -18.410
Base-Backbone interact. energy: -0.143
local terms energy: -43.208182
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -198.416071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.416071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.416071 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -72.561
Base-Backbone interact. energy: -1.387
local terms energy: -75.240105
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -194.973495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973495 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.165
local terms energy: -73.698132
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -193.356067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.356067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.356067 (E_RNA)
where:
Base-Base interactions energy: -121.096
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.104
local terms energy: -72.155735
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -122.812274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.812274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.812274 (E_RNA)
where:
Base-Base interactions energy: -56.125
where: short stacking energy: -56.125
Base-Backbone interact. energy: -0.006
local terms energy: -66.681116
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -113.577179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.577179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.577179 (E_RNA)
where:
Base-Base interactions energy: -59.903
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.513
local terms energy: -53.161223
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -98.919244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.919244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.919244 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.446
local terms energy: -55.158058
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -93.007439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.007439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.007439 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -27.498
Base-Backbone interact. energy: -0.353
local terms energy: -55.636499
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -88.016646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.016646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.016646 (E_RNA)
where:
Base-Base interactions energy: -40.075
where: short stacking energy: -24.811
Base-Backbone interact. energy: -0.637
local terms energy: -47.305625
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -97.449935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.449935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.449935 (E_RNA)
where:
Base-Base interactions energy: -42.512
where: short stacking energy: -33.275
Base-Backbone interact. energy: 1.281
local terms energy: -56.219102
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -73.203725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.203725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.203725 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.173
local terms energy: -41.576135
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -0.370
tors. eta vs tors. theta energy: 2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -192.947310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.947310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.947310 (E_RNA)
where:
Base-Base interactions energy: -116.475
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.767
local terms energy: -75.705702
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -15.799
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -189.675955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.675955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.675955 (E_RNA)
where:
Base-Base interactions energy: -119.107
where: short stacking energy: -55.467
Base-Backbone interact. energy: -0.141
local terms energy: -70.427896
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -14.524
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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -188.533977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.533977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.533977 (E_RNA)
where:
Base-Base interactions energy: -115.032
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.558
local terms energy: -72.944136
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -108.132999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.132999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.132999 (E_RNA)
where:
Base-Base interactions energy: -54.828
where: short stacking energy: -34.849
Base-Backbone interact. energy: -0.123
local terms energy: -53.182164
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -120.347380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.347380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.347380 (E_RNA)
where:
Base-Base interactions energy: -65.274
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.015
local terms energy: -55.057504
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -10.394
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: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -94.800770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.800770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.800770 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.108
local terms energy: -53.025505
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -104.365397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365397 (E_RNA)
where:
Base-Base interactions energy: -47.019
where: short stacking energy: -39.669
Base-Backbone interact. energy: 0.004
local terms energy: -57.349938
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.722445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722445 (E_RNA)
where:
Base-Base interactions energy: -38.502
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.053
local terms energy: -48.167235
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -85.992455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992455 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.025
local terms energy: -46.033827
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -11.641
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -76.239346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.239346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.239346 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.428
local terms energy: -41.259554
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -5.524
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: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -187.493122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.493122 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.004
local terms energy: -75.595297
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -196.402050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.402050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.402050 (E_RNA)
where:
Base-Base interactions energy: -127.820
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.047
local terms energy: -68.535033
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -190.196031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.196031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.196031 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.004
local terms energy: -77.129721
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -110.798562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.798562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.798562 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -37.430
Base-Backbone interact. energy: -1.327
local terms energy: -64.340208
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.501
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: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -100.748706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.748706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.748706 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -38.577
Base-Backbone interact. energy: -0.251
local terms energy: -61.520165
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -8.355
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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -95.186186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.186186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.186186 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -39.496
Base-Backbone interact. energy: 0.099
local terms energy: -48.466425
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -104.141321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.141321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.141321 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -49.378
Base-Backbone interact. energy: 5.797
local terms energy: -54.970234
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -5.189
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: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -86.508151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508151 (E_RNA)
where:
Base-Base interactions energy: -33.168
where: short stacking energy: -29.553
Base-Backbone interact. energy: -0.046
local terms energy: -53.294011
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -78.529056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.529056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.529056 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -22.756
Base-Backbone interact. energy: 1.315
local terms energy: -46.721787
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -4.590
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: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -71.621088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.621088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.621088 (E_RNA)
where:
Base-Base interactions energy: -29.025
where: short stacking energy: -25.141
Base-Backbone interact. energy: 0.159
local terms energy: -42.755292
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -201.940257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.940257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.940257 (E_RNA)
where:
Base-Base interactions energy: -131.134
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.061
local terms energy: -70.745341
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -188.529826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.529826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.529826 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.043
local terms energy: -72.420751
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -178.047031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.047031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.047031 (E_RNA)
where:
Base-Base interactions energy: -108.849
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.048
local terms energy: -69.150200
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -106.229669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.229669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.229669 (E_RNA)
where:
Base-Base interactions energy: -47.314
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.106
local terms energy: -58.809348
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -5.953
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -109.717577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.717577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.717577 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.201
local terms energy: -66.257740
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -97.205239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.205239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.205239 (E_RNA)
where:
Base-Base interactions energy: -52.301
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.427
local terms energy: -44.477555
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: 0.769
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -97.107641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107641 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.532
local terms energy: -55.505245
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -5.453
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -100.643086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.643086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.643086 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -41.269
Base-Backbone interact. energy: -0.084
local terms energy: -56.622396
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -77.501396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.501396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.501396 (E_RNA)
where:
Base-Base interactions energy: -31.153
where: short stacking energy: -30.911
Base-Backbone interact. energy: -0.242
local terms energy: -46.106427
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -8.876
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: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -71.931862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.931862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.931862 (E_RNA)
where:
Base-Base interactions energy: -24.433
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.620
local terms energy: -46.878196
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -5.100
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -207.054576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.054576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.054576 (E_RNA)
where:
Base-Base interactions energy: -131.296
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.630
local terms energy: -75.128797
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -198.828873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.828873 (E_RNA)
where:
Base-Base interactions energy: -119.870
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.002
local terms energy: -78.957139
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -192.027148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.027148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.027148 (E_RNA)
where:
Base-Base interactions energy: -126.957
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.338
local terms energy: -64.732321
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -16.864
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: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -132.140443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.140443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.140443 (E_RNA)
where:
Base-Base interactions energy: -66.804
where: short stacking energy: -50.937
Base-Backbone interact. energy: -1.178
local terms energy: -64.158352
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -132.508211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.508211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.508211 (E_RNA)
where:
Base-Base interactions energy: -79.302
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.215
local terms energy: -52.991365
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -88.069745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.069745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.069745 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.217
local terms energy: -56.374099
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -94.012935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.012935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.012935 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -23.724
Base-Backbone interact. energy: 0.586
local terms energy: -56.968473
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -89.883440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.883440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.883440 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.304
local terms energy: -52.680532
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -79.206125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.206125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.206125 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.867
local terms energy: -47.227528
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -85.560829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.560829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.560829 (E_RNA)
where:
Base-Base interactions energy: -26.088
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.209
local terms energy: -59.264000
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -209.032669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.032669 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.069
local terms energy: -72.194154
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -195.249529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.249529 (E_RNA)
where:
Base-Base interactions energy: -119.561
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.002
local terms energy: -75.686173
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -183.471616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.471616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.471616 (E_RNA)
where:
Base-Base interactions energy: -114.035
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.106
local terms energy: -69.330629
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -114.597559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.597559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.597559 (E_RNA)
where:
Base-Base interactions energy: -53.059
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.169
local terms energy: -61.368580
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -106.093033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.093033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.093033 (E_RNA)
where:
Base-Base interactions energy: -49.369
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.019
local terms energy: -56.704988
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -105.146221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.146221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.146221 (E_RNA)
where:
Base-Base interactions energy: -44.669
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.246
local terms energy: -60.231324
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -5.327
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: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -88.876525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.876525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.876525 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -33.888
Base-Backbone interact. energy: -1.086
local terms energy: -51.532646
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -84.874412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.874412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.874412 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -20.963
Base-Backbone interact. energy: -0.025
local terms energy: -44.292150
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -8.586
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: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -73.967231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.967231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.967231 (E_RNA)
where:
Base-Base interactions energy: -23.374
where: short stacking energy: -23.197
Base-Backbone interact. energy: -0.088
local terms energy: -50.505220
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.290
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: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.668602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.668602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.668602 (E_RNA)
where:
Base-Base interactions energy: -48.556
where: short stacking energy: -20.902
Base-Backbone interact. energy: 0.281
local terms energy: -31.394060
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -205.084798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.084798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.084798 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.202
local terms energy: -74.369626
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -184.090035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.090035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.090035 (E_RNA)
where:
Base-Base interactions energy: -114.698
where: short stacking energy: -67.552
Base-Backbone interact. energy: 0.285
local terms energy: -69.676832
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.961
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: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -183.152344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152344 (E_RNA)
where:
Base-Base interactions energy: -113.646
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.098
local terms energy: -69.407681
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -129.805310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.805310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.805310 (E_RNA)
where:
Base-Base interactions energy: -67.722
where: short stacking energy: -47.498
Base-Backbone interact. energy: -0.240
local terms energy: -61.843298
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -11.150
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: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -113.896916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.896916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.896916 (E_RNA)
where:
Base-Base interactions energy: -49.348
where: short stacking energy: -49.348
Base-Backbone interact. energy: -0.042
local terms energy: -64.506729
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -101.800471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.800471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.800471 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.488
local terms energy: -55.925252
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -91.516680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.516680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.516680 (E_RNA)
where:
Base-Base interactions energy: -44.005
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.653
local terms energy: -46.858846
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -7.728
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: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -80.464418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.464418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.464418 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.775
Base-Backbone interact. energy: 1.968
local terms energy: -48.657344
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -86.978619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978619 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.059
local terms energy: -49.193038
where:
bonds (distance) C4'-P energy: -5.202
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.957
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: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -72.247031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.247031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.247031 (E_RNA)
where:
Base-Base interactions energy: -26.968
where: short stacking energy: -16.134
Base-Backbone interact. energy: 1.609
local terms energy: -46.888171
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -204.332692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.332692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.332692 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.682
local terms energy: -78.120556
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -163.102051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.102051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.102051 (E_RNA)
where:
Base-Base interactions energy: -91.982
where: short stacking energy: -57.770
Base-Backbone interact. energy: -0.112
local terms energy: -71.008966
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -193.403351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.403351 (E_RNA)
where:
Base-Base interactions energy: -120.259
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.012
local terms energy: -73.132667
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -21.269
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: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -114.471039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.471039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.471039 (E_RNA)
where:
Base-Base interactions energy: -57.604
where: short stacking energy: -49.861
Base-Backbone interact. energy: 1.026
local terms energy: -57.892940
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -120.107190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.107190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.107190 (E_RNA)
where:
Base-Base interactions energy: -53.515
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.114
local terms energy: -66.478463
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -89.876529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.876529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.876529 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -33.710
Base-Backbone interact. energy: -0.037
local terms energy: -51.613250
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -83.335159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.335159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.335159 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -25.337
Base-Backbone interact. energy: -0.956
local terms energy: -52.837879
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -83.428607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.428607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.428607 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -22.943
Base-Backbone interact. energy: -0.198
local terms energy: -46.177166
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -76.762738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.762738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.762738 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.009
local terms energy: -40.727416
where:
bonds (distance) C4'-P energy: -4.561
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.559
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: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -74.633376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.633376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.633376 (E_RNA)
where:
Base-Base interactions energy: -22.645
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.118
local terms energy: -51.870410
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -206.607459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.607459 (E_RNA)
where:
Base-Base interactions energy: -124.360
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.073
local terms energy: -82.174393
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.830
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: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -187.926651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926651 (E_RNA)
where:
Base-Base interactions energy: -114.762
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.310
local terms energy: -72.855058
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -167.528477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.528477 (E_RNA)
where:
Base-Base interactions energy: -104.143
where: short stacking energy: -57.520
Base-Backbone interact. energy: -0.099
local terms energy: -63.286821
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -11.442
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: 311
Temperature: 1.050000
Total energy: -107.133512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.133512 (E_RNA)
where:
Base-Base interactions energy: -48.713
where: short stacking energy: -48.713
Base-Backbone interact. energy: -0.130
local terms energy: -58.290866
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -112.905752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.905752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.905752 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -40.488
Base-Backbone interact. energy: -0.223
local terms energy: -67.129440
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -12.561
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: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -92.444456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.444456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.444456 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -36.471
Base-Backbone interact. energy: -0.151
local terms energy: -53.957641
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.531
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: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -85.843364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.843364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.843364 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.649
local terms energy: -51.232964
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -2.389
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: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -80.792913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.792913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.792913 (E_RNA)
where:
Base-Base interactions energy: -19.535
where: short stacking energy: -19.535
Base-Backbone interact. energy: -0.092
local terms energy: -61.165703
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -10.327
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -92.145145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.145145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.145145 (E_RNA)
where:
Base-Base interactions energy: -44.503
where: short stacking energy: -20.817
Base-Backbone interact. energy: 0.621
local terms energy: -48.263838
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -85.620765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620765 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.863
local terms energy: -46.976968
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -5.202
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: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -209.024239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.024239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.024239 (E_RNA)
where:
Base-Base interactions energy: -132.621
where: short stacking energy: -60.488
Base-Backbone interact. energy: -0.224
local terms energy: -76.179393
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -189.105420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.105420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.105420 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -67.753
Base-Backbone interact. energy: -0.825
local terms energy: -70.475094
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -18.116
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: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -115.458176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.458176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.458176 (E_RNA)
where:
Base-Base interactions energy: -53.577
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.405
local terms energy: -61.475717
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -13.041
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: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -164.610999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.610999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.610999 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.087
local terms energy: -65.470061
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -13.978
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: 312
Temperature: 1.100000
Total energy: -102.389694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.389694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.389694 (E_RNA)
where:
Base-Base interactions energy: -51.842
where: short stacking energy: -43.879
Base-Backbone interact. energy: -0.206
local terms energy: -50.341648
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -96.120827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120827 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -38.976
Base-Backbone interact. energy: -0.120
local terms energy: -50.967229
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -99.068122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.068122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.068122 (E_RNA)
where:
Base-Base interactions energy: -44.070
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.061
local terms energy: -54.936832
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -9.611
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -101.575912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.575912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.575912 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -40.525
Base-Backbone interact. energy: -0.158
local terms energy: -51.643140
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -88.333174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.333174 (E_RNA)
where:
Base-Base interactions energy: -37.859
where: short stacking energy: -31.064
Base-Backbone interact. energy: -0.096
local terms energy: -50.378818
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -3.601
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.009239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009239 (E_RNA)
where:
Base-Base interactions energy: -26.435
where: short stacking energy: -20.091
Base-Backbone interact. energy: -0.038
local terms energy: -49.536632
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: 0.100
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: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -211.098608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.098608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.098608 (E_RNA)
where:
Base-Base interactions energy: -139.033
where: short stacking energy: -64.257
Base-Backbone interact. energy: -0.150
local terms energy: -71.916360
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -188.711056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.711056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.711056 (E_RNA)
where:
Base-Base interactions energy: -115.759
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.001
local terms energy: -72.950284
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -123.865843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.865843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.865843 (E_RNA)
where:
Base-Base interactions energy: -62.488
where: short stacking energy: -42.842
Base-Backbone interact. energy: -0.203
local terms energy: -61.174984
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -177.936391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.936391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.936391 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.188
local terms energy: -62.849067
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -110.124129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.124129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.124129 (E_RNA)
where:
Base-Base interactions energy: -54.283
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.708
local terms energy: -55.132544
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -98.172407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.172407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.172407 (E_RNA)
where:
Base-Base interactions energy: -42.743
where: short stacking energy: -42.743
Base-Backbone interact. energy: -0.137
local terms energy: -55.292588
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -95.453157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.453157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.453157 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -26.658
Base-Backbone interact. energy: -0.227
local terms energy: -54.629896
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -80.079789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.079789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.079789 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -26.251
Base-Backbone interact. energy: -0.324
local terms energy: -47.381545
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -84.197810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197810 (E_RNA)
where:
Base-Base interactions energy: -32.422
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.207
local terms energy: -51.569189
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -1.411
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: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -76.271697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.271697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.271697 (E_RNA)
where:
Base-Base interactions energy: -24.614
where: short stacking energy: -21.658
Base-Backbone interact. energy: -0.005
local terms energy: -51.653215
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -196.521080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521080 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.005
local terms energy: -81.179647
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -193.824877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.824877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.824877 (E_RNA)
where:
Base-Base interactions energy: -124.648
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.509
local terms energy: -68.668528
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -183.471479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.471479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.471479 (E_RNA)
where:
Base-Base interactions energy: -109.569
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.051
local terms energy: -73.851284
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -128.795129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.795129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.795129 (E_RNA)
where:
Base-Base interactions energy: -66.839
where: short stacking energy: -58.060
Base-Backbone interact. energy: 1.458
local terms energy: -63.414695
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.253
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: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -108.781719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.781719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.781719 (E_RNA)
where:
Base-Base interactions energy: -49.780
where: short stacking energy: -37.823
Base-Backbone interact. energy: -1.698
local terms energy: -57.304022
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.061
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: 314
Temperature: 1.150000
Total energy: -103.340702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.340702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.340702 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.019
local terms energy: -65.929633
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -103.560748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.560748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.560748 (E_RNA)
where:
Base-Base interactions energy: -59.321
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.285
local terms energy: -43.955236
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -82.194504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.194504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.194504 (E_RNA)
where:
Base-Base interactions energy: -26.364
where: short stacking energy: -26.364
Base-Backbone interact. energy: 1.803
local terms energy: -57.632876
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.346
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -90.657403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.657403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.657403 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.261
local terms energy: -56.130544
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -80.666985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666985 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -19.770
Base-Backbone interact. energy: -0.273
local terms energy: -49.881808
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -10.847
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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -195.625837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.625837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.625837 (E_RNA)
where:
Base-Base interactions energy: -117.485
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.082
local terms energy: -78.058223
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -193.642300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.642300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.642300 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.193
local terms energy: -74.916046
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -14.993
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: 315
Temperature: 1.000000
Total energy: -183.422798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.422798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.422798 (E_RNA)
where:
Base-Base interactions energy: -110.671
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.560
local terms energy: -72.191044
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -117.746726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.746726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.746726 (E_RNA)
where:
Base-Base interactions energy: -56.951
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.723
local terms energy: -60.072274
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -133.371266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.371266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.371266 (E_RNA)
where:
Base-Base interactions energy: -74.653
where: short stacking energy: -45.086
Base-Backbone interact. energy: -0.998
local terms energy: -57.720602
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -97.713218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.713218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.713218 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.005
local terms energy: -53.787297
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -99.564635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.564635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.564635 (E_RNA)
where:
Base-Base interactions energy: -50.092
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.166
local terms energy: -49.307278
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -94.916130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.916130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.916130 (E_RNA)
where:
Base-Base interactions energy: -44.114
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.156
local terms energy: -50.645987
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.600
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: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -80.369918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.369918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.369918 (E_RNA)
where:
Base-Base interactions energy: -25.922
where: short stacking energy: -24.189
Base-Backbone interact. energy: -0.074
local terms energy: -54.373276
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -84.356651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356651 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.014
local terms energy: -49.400062
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -202.138359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.138359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.138359 (E_RNA)
where:
Base-Base interactions energy: -119.080
where: short stacking energy: -67.818
Base-Backbone interact. energy: 0.636
local terms energy: -83.693990
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -191.888392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.888392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.888392 (E_RNA)
where:
Base-Base interactions energy: -117.394
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.001
local terms energy: -74.493208
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -203.601143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.601143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.601143 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.061
local terms energy: -82.746486
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -124.502917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.502917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.502917 (E_RNA)
where:
Base-Base interactions energy: -70.344
where: short stacking energy: -47.526
Base-Backbone interact. energy: -0.267
local terms energy: -53.891913
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.660
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: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -108.983581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.983581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.983581 (E_RNA)
where:
Base-Base interactions energy: -46.980
where: short stacking energy: -40.373
Base-Backbone interact. energy: 1.268
local terms energy: -63.272375
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.309
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: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -102.839100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.839100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.839100 (E_RNA)
where:
Base-Base interactions energy: -44.392
where: short stacking energy: -43.700
Base-Backbone interact. energy: -0.081
local terms energy: -58.366837
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -83.765965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765965 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.903
local terms energy: -45.414670
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -77.034639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.034639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.034639 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -34.706
Base-Backbone interact. energy: -0.156
local terms energy: -39.821830
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.923258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.923258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.923258 (E_RNA)
where:
Base-Base interactions energy: -25.605
where: short stacking energy: -15.263
Base-Backbone interact. energy: 0.328
local terms energy: -52.646418
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -71.217070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.217070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.217070 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.166
local terms energy: -42.371807
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -200.108041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.108041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.108041 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.877
local terms energy: -77.490538
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -204.684244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684244 (E_RNA)
where:
Base-Base interactions energy: -132.593
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.653
local terms energy: -71.438510
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -186.958728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.958728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.958728 (E_RNA)
where:
Base-Base interactions energy: -113.897
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.015
local terms energy: -73.046666
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -18.159
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: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -134.739903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.739903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.739903 (E_RNA)
where:
Base-Base interactions energy: -72.826
where: short stacking energy: -47.294
Base-Backbone interact. energy: -0.077
local terms energy: -61.836667
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -98.269511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.269511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.269511 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.103
local terms energy: -63.948079
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -111.917321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.917321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.917321 (E_RNA)
where:
Base-Base interactions energy: -47.000
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.119
local terms energy: -64.798671
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -95.780524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.780524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.780524 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -35.150
Base-Backbone interact. energy: 0.075
local terms energy: -53.282549
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -88.876846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.876846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.876846 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -23.824
Base-Backbone interact. energy: 0.257
local terms energy: -50.521053
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -8.490
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -81.822473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.822473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.822473 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -29.437
Base-Backbone interact. energy: 1.072
local terms energy: -53.458324
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -79.642646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642646 (E_RNA)
where:
Base-Base interactions energy: -30.539
where: short stacking energy: -20.814
Base-Backbone interact. energy: -0.397
local terms energy: -48.707008
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -203.751380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.751380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.751380 (E_RNA)
where:
Base-Base interactions energy: -127.326
where: short stacking energy: -67.291
Base-Backbone interact. energy: -0.606
local terms energy: -75.819107
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -200.636135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.636135 (E_RNA)
where:
Base-Base interactions energy: -119.282
where: short stacking energy: -70.811
Base-Backbone interact. energy: 0.695
local terms energy: -82.048652
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -183.381467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.381467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.381467 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.009
local terms energy: -77.924700
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -111.911967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.911967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.911967 (E_RNA)
where:
Base-Base interactions energy: -54.256
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.094
local terms energy: -57.562314
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -97.173445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.173445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.173445 (E_RNA)
where:
Base-Base interactions energy: -61.429
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.227
local terms energy: -35.517565
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -102.197052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.197052 (E_RNA)
where:
Base-Base interactions energy: -46.692
where: short stacking energy: -28.750
Base-Backbone interact. energy: -1.154
local terms energy: -54.351033
where:
bonds (distance) C4'-P energy: -6.508
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -100.958138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.958138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.958138 (E_RNA)
where:
Base-Base interactions energy: -43.785
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.051
local terms energy: -57.122100
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -87.154390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.154390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.154390 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.054
local terms energy: -54.608057
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.334
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: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -82.813677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.813677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.813677 (E_RNA)
where:
Base-Base interactions energy: -35.771
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.348
local terms energy: -46.695194
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -95.820391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.820391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.820391 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.139
local terms energy: -49.496168
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -213.965772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.965772 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.124
local terms energy: -74.641312
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -192.712988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.712988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.712988 (E_RNA)
where:
Base-Base interactions energy: -116.386
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.006
local terms energy: -76.320512
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -180.872699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872699 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.012
local terms energy: -65.934869
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -10.631
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -128.615225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.615225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.615225 (E_RNA)
where:
Base-Base interactions energy: -62.789
where: short stacking energy: -46.770
Base-Backbone interact. energy: -0.234
local terms energy: -65.592250
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -107.720194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.720194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.720194 (E_RNA)
where:
Base-Base interactions energy: -51.015
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.144
local terms energy: -56.561066
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -92.073088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073088 (E_RNA)
where:
Base-Base interactions energy: -39.046
where: short stacking energy: -25.715
Base-Backbone interact. energy: -0.164
local terms energy: -52.862790
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -95.274052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.274052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.274052 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -29.211
Base-Backbone interact. energy: -0.024
local terms energy: -61.239486
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -99.534213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534213 (E_RNA)
where:
Base-Base interactions energy: -44.963
where: short stacking energy: -32.244
Base-Backbone interact. energy: 0.662
local terms energy: -55.233839
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -101.459573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.459573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.459573 (E_RNA)
where:
Base-Base interactions energy: -45.428
where: short stacking energy: -42.717
Base-Backbone interact. energy: -0.460
local terms energy: -55.571917
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -80.677738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.677738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.677738 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.375
local terms energy: -49.413807
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -195.842495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.842495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.842495 (E_RNA)
where:
Base-Base interactions energy: -117.514
where: short stacking energy: -71.233
Base-Backbone interact. energy: -0.670
local terms energy: -77.658403
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -208.045200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045200 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -63.443
Base-Backbone interact. energy: -0.189
local terms energy: -76.235277
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.591
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: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -190.399713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.399713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.399713 (E_RNA)
where:
Base-Base interactions energy: -109.975
where: short stacking energy: -64.641
Base-Backbone interact. energy: -0.047
local terms energy: -80.377585
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -10.120
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: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -124.941596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.941596 (E_RNA)
where:
Base-Base interactions energy: -64.697
where: short stacking energy: -54.616
Base-Backbone interact. energy: -0.035
local terms energy: -60.210039
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.233
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: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -106.109426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.109426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.109426 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.148
local terms energy: -62.133475
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -11.576
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -91.454660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.454660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.454660 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.084
local terms energy: -52.611187
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -98.465783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.465783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.465783 (E_RNA)
where:
Base-Base interactions energy: -44.609
where: short stacking energy: -21.893
Base-Backbone interact. energy: -0.750
local terms energy: -53.106577
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -91.374009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.374009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.374009 (E_RNA)
where:
Base-Base interactions energy: -40.949
where: short stacking energy: -29.220
Base-Backbone interact. energy: -0.131
local terms energy: -50.294264
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -81.792357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.792357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.792357 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -28.637
Base-Backbone interact. energy: -0.216
local terms energy: -45.408709
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: 1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -75.990445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990445 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.129
local terms energy: -34.980371
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -4.621
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: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -199.542932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.542932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542932 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -67.916
Base-Backbone interact. energy: -0.001
local terms energy: -77.285670
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -199.543676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543676 (E_RNA)
where:
Base-Base interactions energy: -127.755
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.114
local terms energy: -71.674894
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -12.362
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -182.815025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.815025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.815025 (E_RNA)
where:
Base-Base interactions energy: -108.939
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.002
local terms energy: -73.874116
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -112.287953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.287953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.287953 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.896
local terms energy: -63.215473
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -11.327
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -110.945270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.945270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.945270 (E_RNA)
where:
Base-Base interactions energy: -49.597
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.232
local terms energy: -61.115315
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -9.926
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: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -102.400846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.400846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.400846 (E_RNA)
where:
Base-Base interactions energy: -42.165
where: short stacking energy: -29.728
Base-Backbone interact. energy: -1.185
local terms energy: -59.050302
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -90.283050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283050 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -30.666
Base-Backbone interact. energy: -0.180
local terms energy: -57.394755
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.862
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: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -89.182983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.182983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.182983 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.076
local terms energy: -49.303667
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -2.675
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: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -81.482736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.482736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.482736 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -21.354
Base-Backbone interact. energy: 0.505
local terms energy: -51.122246
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -77.419326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.419326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.419326 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -22.852
Base-Backbone interact. energy: -0.126
local terms energy: -46.326400
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 0.666
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: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -191.304665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.304665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.304665 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.029
local terms energy: -75.691609
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -193.168305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.168305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.168305 (E_RNA)
where:
Base-Base interactions energy: -116.709
where: short stacking energy: -64.004
Base-Backbone interact. energy: -0.015
local terms energy: -76.444206
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.395
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: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -177.817133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.817133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.817133 (E_RNA)
where:
Base-Base interactions energy: -110.534
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.041
local terms energy: -67.242126
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -109.172803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.172803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.172803 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -43.426
Base-Backbone interact. energy: -0.323
local terms energy: -56.520173
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.219
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: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -108.564891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.564891 (E_RNA)
where:
Base-Base interactions energy: -51.607
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.258
local terms energy: -56.699512
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -2.270
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: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -117.369804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.369804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.369804 (E_RNA)
where:
Base-Base interactions energy: -67.013
where: short stacking energy: -27.507
Base-Backbone interact. energy: 0.470
local terms energy: -50.827037
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -7.947
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: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -83.983344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983344 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -24.485
Base-Backbone interact. energy: 0.679
local terms energy: -51.132402
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -91.868067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868067 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -36.833
Base-Backbone interact. energy: -0.287
local terms energy: -54.747917
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -82.197731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.197731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.197731 (E_RNA)
where:
Base-Base interactions energy: -37.546
where: short stacking energy: -29.940
Base-Backbone interact. energy: -0.006
local terms energy: -44.646349
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -83.019033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019033 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.539
local terms energy: -50.111346
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -193.193866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.193866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.193866 (E_RNA)
where:
Base-Base interactions energy: -118.381
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.006
local terms energy: -74.806196
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -184.013898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.013898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.013898 (E_RNA)
where:
Base-Base interactions energy: -120.146
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.471
local terms energy: -63.396583
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -10.877
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: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -196.684380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.684380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.684380 (E_RNA)
where:
Base-Base interactions energy: -115.666
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.090
local terms energy: -80.928814
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -113.159864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.159864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.159864 (E_RNA)
where:
Base-Base interactions energy: -44.289
where: short stacking energy: -41.238
Base-Backbone interact. energy: -0.105
local terms energy: -68.765973
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -10.309
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -101.320430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.320430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.320430 (E_RNA)
where:
Base-Base interactions energy: -38.841
where: short stacking energy: -38.841
Base-Backbone interact. energy: -0.013
local terms energy: -62.466255
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -103.263972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.263972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.263972 (E_RNA)
where:
Base-Base interactions energy: -43.893
where: short stacking energy: -40.622
Base-Backbone interact. energy: -0.192
local terms energy: -59.179283
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -103.213401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213401 (E_RNA)
where:
Base-Base interactions energy: -53.027
where: short stacking energy: -22.372
Base-Backbone interact. energy: 0.300
local terms energy: -50.486387
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: 2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -92.916381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.916381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.916381 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.017
local terms energy: -56.416256
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -78.657513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657513 (E_RNA)
where:
Base-Base interactions energy: -23.612
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.082
local terms energy: -54.964362
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -80.484705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484705 (E_RNA)
where:
Base-Base interactions energy: -29.979
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.707
local terms energy: -49.798640
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -4.570
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: 324
Temperature: 0.900000
Total energy: -192.982770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.982770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.982770 (E_RNA)
where:
Base-Base interactions energy: -121.851
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.130
local terms energy: -71.001393
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -11.120
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: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -200.439758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.439758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.439758 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -77.226
Base-Backbone interact. energy: -0.000
local terms energy: -75.403970
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -20.548
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: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -195.644759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.644759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644759 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.066
local terms energy: -76.615716
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -119.817488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.817488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.817488 (E_RNA)
where:
Base-Base interactions energy: -53.564
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.237
local terms energy: -66.016117
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -11.422
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -101.630884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.630884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.630884 (E_RNA)
where:
Base-Base interactions energy: -51.000
where: short stacking energy: -36.437
Base-Backbone interact. energy: 3.402
local terms energy: -54.033721
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -135.687862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.687862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.687862 (E_RNA)
where:
Base-Base interactions energy: -73.388
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.125
local terms energy: -62.174355
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -94.088509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088509 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.523
local terms energy: -48.555255
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -93.431510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.431510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.431510 (E_RNA)
where:
Base-Base interactions energy: -42.641
where: short stacking energy: -42.641
Base-Backbone interact. energy: -0.052
local terms energy: -50.738270
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -77.285552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285552 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -19.945
Base-Backbone interact. energy: -0.199
local terms energy: -45.788034
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -4.715
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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -69.882996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.882996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.882996 (E_RNA)
where:
Base-Base interactions energy: -20.567
where: short stacking energy: -20.567
Base-Backbone interact. energy: -0.166
local terms energy: -49.150707
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -176.122470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.122470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122470 (E_RNA)
where:
Base-Base interactions energy: -105.766
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.351
local terms energy: -70.004937
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -193.798689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.798689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.798689 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -63.803
Base-Backbone interact. energy: 2.286
local terms energy: -76.487593
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -185.909848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.909848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.909848 (E_RNA)
where:
Base-Base interactions energy: -113.401
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.294
local terms energy: -72.214551
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -118.620326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.620326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.620326 (E_RNA)
where:
Base-Base interactions energy: -60.316
where: short stacking energy: -42.148
Base-Backbone interact. energy: -1.615
local terms energy: -56.689122
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -120.017200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.017200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.017200 (E_RNA)
where:
Base-Base interactions energy: -62.366
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.094
local terms energy: -57.557129
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -6.448
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: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -134.939718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.939718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.939718 (E_RNA)
where:
Base-Base interactions energy: -80.170
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.379
local terms energy: -54.390588
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -96.326600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326600 (E_RNA)
where:
Base-Base interactions energy: -42.160
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.123
local terms energy: -54.043518
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -71.751512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.751512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.751512 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -20.198
Base-Backbone interact. energy: -0.894
local terms energy: -45.466125
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -96.958810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.958810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.958810 (E_RNA)
where:
Base-Base interactions energy: -42.700
where: short stacking energy: -42.700
Base-Backbone interact. energy: 1.233
local terms energy: -55.491755
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -91.345780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.345780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.345780 (E_RNA)
where:
Base-Base interactions energy: -38.497
where: short stacking energy: -28.473
Base-Backbone interact. energy: -0.157
local terms energy: -52.691689
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -200.794879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.794879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.794879 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.008
local terms energy: -71.290236
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.057
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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -167.212175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.212175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.212175 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.150
local terms energy: -74.937992
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -180.739190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.739190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.739190 (E_RNA)
where:
Base-Base interactions energy: -105.626
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.030
local terms energy: -75.083085
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -102.760147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.760147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.760147 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.062
local terms energy: -66.679650
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -12.479
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -109.302812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.302812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.302812 (E_RNA)
where:
Base-Base interactions energy: -50.455
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.463
local terms energy: -58.385096
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -96.620800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620800 (E_RNA)
where:
Base-Base interactions energy: -42.225
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.075
local terms energy: -54.320890
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -101.727705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.727705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.727705 (E_RNA)
where:
Base-Base interactions energy: -50.302
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.114
local terms energy: -51.312153
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -82.421962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.421962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.421962 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.022
local terms energy: -52.957032
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -81.905127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.905127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.905127 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.009
local terms energy: -50.778940
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.794
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.419807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.419807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.419807 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.142
local terms energy: -50.785905
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.386
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: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -199.587547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587547 (E_RNA)
where:
Base-Base interactions energy: -123.701
where: short stacking energy: -74.941
Base-Backbone interact. energy: -0.004
local terms energy: -75.882955
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -180.213529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.213529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.213529 (E_RNA)
where:
Base-Base interactions energy: -109.386
where: short stacking energy: -64.647
Base-Backbone interact. energy: -0.026
local terms energy: -70.802210
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -164.474834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.474834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.474834 (E_RNA)
where:
Base-Base interactions energy: -98.234
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.469
local terms energy: -65.771811
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -127.572728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.572728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.572728 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -44.248
Base-Backbone interact. energy: -0.028
local terms energy: -57.838763
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.778
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: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -115.864745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.864745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.864745 (E_RNA)
where:
Base-Base interactions energy: -54.647
where: short stacking energy: -32.070
Base-Backbone interact. energy: -1.057
local terms energy: -60.160537
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -10.375
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: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -95.554513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.554513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.554513 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.098
local terms energy: -52.520127
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: -7.959
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: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -92.013476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.013476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.013476 (E_RNA)
where:
Base-Base interactions energy: -34.294
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.628
local terms energy: -57.091408
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -81.417288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417288 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.340
local terms energy: -48.180344
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -8.150
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -77.955422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.955422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.955422 (E_RNA)
where:
Base-Base interactions energy: -29.549
where: short stacking energy: -29.549
Base-Backbone interact. energy: -0.114
local terms energy: -48.292739
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -3.129
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: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -78.579814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.579814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.579814 (E_RNA)
where:
Base-Base interactions energy: -23.953
where: short stacking energy: -23.234
Base-Backbone interact. energy: -0.082
local terms energy: -54.544881
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -200.557390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.557390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.557390 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -77.583
Base-Backbone interact. energy: -0.052
local terms energy: -73.789891
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -189.379422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.379422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.379422 (E_RNA)
where:
Base-Base interactions energy: -116.501
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.001
local terms energy: -72.877231
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.385
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: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -188.634226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634226 (E_RNA)
where:
Base-Base interactions energy: -116.096
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.188
local terms energy: -72.350111
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -122.061962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.061962 (E_RNA)
where:
Base-Base interactions energy: -63.003
where: short stacking energy: -43.650
Base-Backbone interact. energy: -0.704
local terms energy: -58.354450
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -117.421112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.421112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.421112 (E_RNA)
where:
Base-Base interactions energy: -64.534
where: short stacking energy: -39.165
Base-Backbone interact. energy: 0.274
local terms energy: -53.161532
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -114.285887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.285887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.285887 (E_RNA)
where:
Base-Base interactions energy: -55.951
where: short stacking energy: -33.811
Base-Backbone interact. energy: -0.260
local terms energy: -58.074247
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.929
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -97.806912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.806912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.806912 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -32.396
Base-Backbone interact. energy: -0.005
local terms energy: -61.229606
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -85.732879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.732879 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.018
local terms energy: -50.223191
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -7.677
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: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -81.413638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413638 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.148
local terms energy: -45.601814
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -76.981654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981654 (E_RNA)
where:
Base-Base interactions energy: -36.627
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.347
local terms energy: -40.007535
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -205.948647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.948647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.948647 (E_RNA)
where:
Base-Base interactions energy: -130.476
where: short stacking energy: -66.624
Base-Backbone interact. energy: -0.448
local terms energy: -75.025094
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -201.135707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.135707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.135707 (E_RNA)
where:
Base-Base interactions energy: -123.984
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.006
local terms energy: -77.146144
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -19.369
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: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -200.474873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.474873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.474873 (E_RNA)
where:
Base-Base interactions energy: -128.460
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.127
local terms energy: -71.888104
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -121.656308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.656308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.656308 (E_RNA)
where:
Base-Base interactions energy: -57.328
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.313
local terms energy: -64.015637
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -9.271
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: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -112.616577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.616577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.616577 (E_RNA)
where:
Base-Base interactions energy: -55.386
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.149
local terms energy: -57.081968
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -6.968
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: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -98.941999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941999 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -35.308
Base-Backbone interact. energy: -1.406
local terms energy: -58.999815
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -6.943
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: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -98.698513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.698513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.698513 (E_RNA)
where:
Base-Base interactions energy: -38.799
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.015
local terms energy: -59.885333
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -90.423154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.423154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.423154 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.104
local terms energy: -49.686281
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -78.734130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.734130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.734130 (E_RNA)
where:
Base-Base interactions energy: -27.311
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.007
local terms energy: -51.415826
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -77.804900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.804900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.804900 (E_RNA)
where:
Base-Base interactions energy: -30.240
where: short stacking energy: -28.882
Base-Backbone interact. energy: 0.569
local terms energy: -48.133870
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -11.555
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: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -205.861732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.861732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.861732 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.364
local terms energy: -74.598782
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.081
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -192.836204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.836204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.836204 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.012
local terms energy: -78.260487
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -198.187519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.187519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.187519 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -56.885
Base-Backbone interact. energy: 0.116
local terms energy: -72.307391
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -120.909197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.909197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.909197 (E_RNA)
where:
Base-Base interactions energy: -65.238
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.121
local terms energy: -55.551052
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -104.085343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.085343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.085343 (E_RNA)
where:
Base-Base interactions energy: -38.571
where: short stacking energy: -34.330
Base-Backbone interact. energy: -1.231
local terms energy: -64.282959
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -95.220933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.220933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.220933 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.782
local terms energy: -61.069865
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -102.468520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.468520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.468520 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -31.256
Base-Backbone interact. energy: -1.328
local terms energy: -60.938972
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -85.733492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733492 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.352
local terms energy: -53.902451
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -82.775909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.775909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.775909 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -28.117
Base-Backbone interact. energy: 0.532
local terms energy: -55.191249
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.022
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -74.625170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.625170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.625170 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -17.559
Base-Backbone interact. energy: 0.452
local terms energy: -40.442072
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -201.090956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.090956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.090956 (E_RNA)
where:
Base-Base interactions energy: -125.555
where: short stacking energy: -73.802
Base-Backbone interact. energy: -0.135
local terms energy: -75.400805
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -210.326377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.326377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.326377 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.229
local terms energy: -76.956442
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -13.847
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -199.231564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.231564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.231564 (E_RNA)
where:
Base-Base interactions energy: -122.058
where: short stacking energy: -67.340
Base-Backbone interact. energy: -0.002
local terms energy: -77.171244
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -128.621590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.621590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.621590 (E_RNA)
where:
Base-Base interactions energy: -67.043
where: short stacking energy: -42.963
Base-Backbone interact. energy: -0.915
local terms energy: -60.663770
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -93.269411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269411 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.128
local terms energy: -53.930473
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -92.485067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.485067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.485067 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -23.620
Base-Backbone interact. energy: 0.775
local terms energy: -51.825613
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -101.724803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.724803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.724803 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.121
local terms energy: -57.892333
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -85.073294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073294 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -41.073
Base-Backbone interact. energy: -0.002
local terms energy: -43.998560
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -80.447025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.447025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.447025 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.578
local terms energy: -40.657356
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -6.076
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -83.012264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.012264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.012264 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.172
local terms energy: -47.519974
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -1.590
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: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -208.830423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830423 (E_RNA)
where:
Base-Base interactions energy: -132.671
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.121
local terms energy: -76.038162
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -197.949986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.949986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.949986 (E_RNA)
where:
Base-Base interactions energy: -117.421
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.002
local terms energy: -80.527224
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -21.015
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: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -194.029249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029249 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -74.263
Base-Backbone interact. energy: -0.007
local terms energy: -73.296263
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -114.765090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.765090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.765090 (E_RNA)
where:
Base-Base interactions energy: -57.353
where: short stacking energy: -46.506
Base-Backbone interact. energy: 1.282
local terms energy: -58.693738
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -7.618
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: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -101.568162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568162 (E_RNA)
where:
Base-Base interactions energy: -42.299
where: short stacking energy: -39.837
Base-Backbone interact. energy: -0.056
local terms energy: -59.213404
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -92.735068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.735068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.735068 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.050
local terms energy: -58.171424
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -90.651724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651724 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -41.264
Base-Backbone interact. energy: -0.171
local terms energy: -47.897857
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -96.395715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.395715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.395715 (E_RNA)
where:
Base-Base interactions energy: -46.967
where: short stacking energy: -43.446
Base-Backbone interact. energy: -0.015
local terms energy: -49.413852
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -4.469
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: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -80.756706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.756706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.756706 (E_RNA)
where:
Base-Base interactions energy: -28.872
where: short stacking energy: -28.621
Base-Backbone interact. energy: -0.187
local terms energy: -51.697000
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -93.593091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.593091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.593091 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.110
local terms energy: -58.381691
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -8.127
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -219.650843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650843 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.307
local terms energy: -75.783032
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -195.814242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.814242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.814242 (E_RNA)
where:
Base-Base interactions energy: -118.330
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.299
local terms energy: -77.184922
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -179.259186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.259186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.259186 (E_RNA)
where:
Base-Base interactions energy: -110.966
where: short stacking energy: -50.323
Base-Backbone interact. energy: -0.044
local terms energy: -68.249041
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -118.041057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.041057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.041057 (E_RNA)
where:
Base-Base interactions energy: -57.206
where: short stacking energy: -37.118
Base-Backbone interact. energy: -1.431
local terms energy: -59.404457
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -108.860508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.860508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.860508 (E_RNA)
where:
Base-Base interactions energy: -57.300
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.515
local terms energy: -51.045008
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -1.356
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -94.770742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.770742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.770742 (E_RNA)
where:
Base-Base interactions energy: -38.826
where: short stacking energy: -38.826
Base-Backbone interact. energy: -0.235
local terms energy: -55.709470
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.041
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: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -103.072333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.072333 (E_RNA)
where:
Base-Base interactions energy: -52.062
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.075
local terms energy: -50.935537
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -2.751
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: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -90.455416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.455416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.455416 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -30.425
Base-Backbone interact. energy: 0.547
local terms energy: -48.334030
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -4.617
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -76.673099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.673099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.673099 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -12.707
Base-Backbone interact. energy: -0.720
local terms energy: -45.658474
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -10.202
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: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -79.068376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.068376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.068376 (E_RNA)
where:
Base-Base interactions energy: -40.400
where: short stacking energy: -19.865
Base-Backbone interact. energy: -0.884
local terms energy: -37.784303
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -4.460
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: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -206.364584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.364584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.364584 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.042
local terms energy: -69.985912
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -13.492
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: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -196.517798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517798 (E_RNA)
where:
Base-Base interactions energy: -121.774
where: short stacking energy: -58.310
Base-Backbone interact. energy: -1.166
local terms energy: -73.577935
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -16.777
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: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -182.778028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.778028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.778028 (E_RNA)
where:
Base-Base interactions energy: -116.126
where: short stacking energy: -64.161
Base-Backbone interact. energy: -0.063
local terms energy: -66.588404
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -135.188326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.188326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.188326 (E_RNA)
where:
Base-Base interactions energy: -70.160
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.021
local terms energy: -65.007070
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.508
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -95.690188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.690188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.690188 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.119
local terms energy: -57.254194
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -109.451834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.451834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.451834 (E_RNA)
where:
Base-Base interactions energy: -56.120
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.164
local terms energy: -53.167442
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.430
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: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -106.883087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.883087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.883087 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -42.220
Base-Backbone interact. energy: -0.020
local terms energy: -64.642667
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -95.254236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.254236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.254236 (E_RNA)
where:
Base-Base interactions energy: -38.983
where: short stacking energy: -24.524
Base-Backbone interact. energy: -0.026
local terms energy: -56.245775
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -87.266504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.266504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.266504 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.736
local terms energy: -54.370774
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -72.155893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.155893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.155893 (E_RNA)
where:
Base-Base interactions energy: -28.856
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.071
local terms energy: -43.229127
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -4.918
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -205.711942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711942 (E_RNA)
where:
Base-Base interactions energy: -129.190
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.564
local terms energy: -75.958268
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.233
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: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -185.000501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.000501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.000501 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -65.275
Base-Backbone interact. energy: 0.609
local terms energy: -74.446290
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -17.548
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: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -190.244223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244223 (E_RNA)
where:
Base-Base interactions energy: -113.773
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.669
local terms energy: -75.802167
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.282
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: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -114.316643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.316643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.316643 (E_RNA)
where:
Base-Base interactions energy: -45.289
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.002
local terms energy: -69.026192
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -97.691763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.691763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.691763 (E_RNA)
where:
Base-Base interactions energy: -46.283
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.143
local terms energy: -51.265495
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -90.344987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.344987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.344987 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.101
local terms energy: -59.551555
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -79.691038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.691038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.691038 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -17.143
Base-Backbone interact. energy: -0.344
local terms energy: -46.724540
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -89.353657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353657 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -32.116
Base-Backbone interact. energy: -0.163
local terms energy: -56.994500
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -82.417927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.417927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.417927 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -30.405
Base-Backbone interact. energy: -0.486
local terms energy: -46.823141
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -3.536
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -70.292936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.292936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.292936 (E_RNA)
where:
Base-Base interactions energy: -24.871
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.343
local terms energy: -45.079532
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: 3.218
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: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -207.283425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283425 (E_RNA)
where:
Base-Base interactions energy: -131.217
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.777
local terms energy: -75.289770
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -187.392252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392252 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.045
local terms energy: -72.693316
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -17.125
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -186.000508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.000508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.000508 (E_RNA)
where:
Base-Base interactions energy: -114.866
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.044
local terms energy: -71.090096
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -114.403607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.403607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.403607 (E_RNA)
where:
Base-Base interactions energy: -51.468
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.005
local terms energy: -62.930550
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -105.950381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.950381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.950381 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -26.917
Base-Backbone interact. energy: -0.051
local terms energy: -65.702671
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -93.098210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.098210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.098210 (E_RNA)
where:
Base-Base interactions energy: -34.300
where: short stacking energy: -34.022
Base-Backbone interact. energy: -0.034
local terms energy: -58.764125
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -113.842126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.842126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.842126 (E_RNA)
where:
Base-Base interactions energy: -54.153
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.230
local terms energy: -59.458671
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -84.914430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914430 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.014
local terms energy: -55.539761
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -3.211
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -97.374287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374287 (E_RNA)
where:
Base-Base interactions energy: -41.988
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.173
local terms energy: -55.212752
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -76.153054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.153054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.153054 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.047
local terms energy: -36.416318
where:
bonds (distance) C4'-P energy: -4.618
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -9.357
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: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -211.464702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.464702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464702 (E_RNA)
where:
Base-Base interactions energy: -134.484
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.105
local terms energy: -76.875493
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -189.133290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.133290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.133290 (E_RNA)
where:
Base-Base interactions energy: -113.164
where: short stacking energy: -67.474
Base-Backbone interact. energy: -0.153
local terms energy: -75.816512
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -183.643797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.643797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.643797 (E_RNA)
where:
Base-Base interactions energy: -111.002
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.024
local terms energy: -72.618502
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -102.097819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.097819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.097819 (E_RNA)
where:
Base-Base interactions energy: -37.548
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.058
local terms energy: -64.492472
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -104.943650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.943650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.943650 (E_RNA)
where:
Base-Base interactions energy: -49.750
where: short stacking energy: -40.811
Base-Backbone interact. energy: -0.611
local terms energy: -54.582872
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -103.483031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.483031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.483031 (E_RNA)
where:
Base-Base interactions energy: -47.402
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.164
local terms energy: -55.917567
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -85.969364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.969364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.969364 (E_RNA)
where:
Base-Base interactions energy: -27.188
where: short stacking energy: -27.188
Base-Backbone interact. energy: -0.028
local terms energy: -58.752849
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -5.886
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -83.915472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.915472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.915472 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -26.292
Base-Backbone interact. energy: -0.413
local terms energy: -50.194599
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -87.356594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.356594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.356594 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -31.529
Base-Backbone interact. energy: 1.490
local terms energy: -57.317980
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -73.601124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.601124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.601124 (E_RNA)
where:
Base-Base interactions energy: -21.489
where: short stacking energy: -20.946
Base-Backbone interact. energy: -0.196
local terms energy: -51.916046
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -12.534
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -210.654216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654216 (E_RNA)
where:
Base-Base interactions energy: -131.727
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.652
local terms energy: -78.275643
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -177.510744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510744 (E_RNA)
where:
Base-Base interactions energy: -103.774
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.398
local terms energy: -73.338091
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -15.815
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -195.041631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.041631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041631 (E_RNA)
where:
Base-Base interactions energy: -122.536
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.001
local terms energy: -72.505153
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -121.414414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.414414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.414414 (E_RNA)
where:
Base-Base interactions energy: -69.500
where: short stacking energy: -27.102
Base-Backbone interact. energy: -0.258
local terms energy: -51.656139
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -141.102927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.102927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.102927 (E_RNA)
where:
Base-Base interactions energy: -85.365
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.180
local terms energy: -55.557800
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -7.841
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -13.471
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -95.763363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.763363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.763363 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.156
local terms energy: -55.784650
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -4.278
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: 338
Temperature: 1.200000
Total energy: -88.214698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.214698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.214698 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -18.513
Base-Backbone interact. energy: 0.711
local terms energy: -44.568224
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: 5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -79.814208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.814208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.814208 (E_RNA)
where:
Base-Base interactions energy: -24.518
where: short stacking energy: -24.518
Base-Backbone interact. energy: 2.485
local terms energy: -57.781593
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -84.578495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578495 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -28.558
Base-Backbone interact. energy: 0.110
local terms energy: -51.392060
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -0.187
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: 338
Temperature: 1.350000
Total energy: -73.122899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.122899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.122899 (E_RNA)
where:
Base-Base interactions energy: -28.058
where: short stacking energy: -20.677
Base-Backbone interact. energy: -0.411
local terms energy: -44.654136
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -0.720
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: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -218.103837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.103837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.103837 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -67.737
Base-Backbone interact. energy: 0.635
local terms energy: -81.894737
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -18.122
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: 339
Temperature: 0.950000
Total energy: -195.147059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.147059 (E_RNA)
where:
Base-Base interactions energy: -117.832
where: short stacking energy: -71.456
Base-Backbone interact. energy: -0.000
local terms energy: -77.314615
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -178.011007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.011007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.011007 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.031
local terms energy: -69.409473
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -16.423
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: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -160.872050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.872050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.872050 (E_RNA)
where:
Base-Base interactions energy: -93.122
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.320
local terms energy: -67.429897
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -14.050
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: 339
Temperature: 1.100000
Total energy: -127.446535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.446535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.446535 (E_RNA)
where:
Base-Base interactions energy: -77.166
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.166
local terms energy: -50.114138
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -105.340835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.340835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.340835 (E_RNA)
where:
Base-Base interactions energy: -50.353
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.826
local terms energy: -54.161374
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -3.080
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: 339
Temperature: 1.200000
Total energy: -94.796277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.796277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.796277 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -25.410
Base-Backbone interact. energy: -0.289
local terms energy: -50.295758
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: 0.550
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -98.617941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.617941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.617941 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -26.991
Base-Backbone interact. energy: -0.106
local terms energy: -53.430234
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -5.240
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: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -77.943948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.943948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.943948 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -22.566
Base-Backbone interact. energy: 2.117
local terms energy: -49.203859
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.037
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -82.519371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.519371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.519371 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -23.438
Base-Backbone interact. energy: -0.106
local terms energy: -49.316685
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -193.982952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.982952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.982952 (E_RNA)
where:
Base-Base interactions energy: -114.934
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.000
local terms energy: -79.048219
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -203.065349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.065349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.065349 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.415
local terms energy: -75.444154
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -17.507
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: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -183.874264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.874264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.874264 (E_RNA)
where:
Base-Base interactions energy: -104.581
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.481
local terms energy: -78.812208
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -172.712752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.712752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.712752 (E_RNA)
where:
Base-Base interactions energy: -94.318
where: short stacking energy: -62.289
Base-Backbone interact. energy: 1.013
local terms energy: -79.408400
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -119.464349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.464349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.464349 (E_RNA)
where:
Base-Base interactions energy: -70.640
where: short stacking energy: -37.585
Base-Backbone interact. energy: -0.437
local terms energy: -48.387459
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -7.296
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -102.159021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.159021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.159021 (E_RNA)
where:
Base-Base interactions energy: -46.078
where: short stacking energy: -41.665
Base-Backbone interact. energy: -0.095
local terms energy: -55.986182
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -7.838
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: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -94.685990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.685990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.685990 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.204
local terms energy: -55.300398
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.300
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: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -75.885889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.885889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.885889 (E_RNA)
where:
Base-Base interactions energy: -24.246
where: short stacking energy: -13.084
Base-Backbone interact. energy: -1.017
local terms energy: -50.622951
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -78.762972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.762972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.762972 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.029
local terms energy: -51.651337
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -3.001
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -79.920585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.920585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.920585 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -23.621
Base-Backbone interact. energy: -0.130
local terms energy: -44.351728
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -6.189
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -189.806536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.806536 (E_RNA)
where:
Base-Base interactions energy: -117.609
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.177
local terms energy: -72.020611
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -205.110444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.110444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.110444 (E_RNA)
where:
Base-Base interactions energy: -131.598
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.082
local terms energy: -73.429940
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -199.057926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.057926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.057926 (E_RNA)
where:
Base-Base interactions energy: -127.428
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.023
local terms energy: -71.607155
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -166.360370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.360370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.360370 (E_RNA)
where:
Base-Base interactions energy: -99.045
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.016
local terms energy: -67.299771
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -114.832000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.832000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.832000 (E_RNA)
where:
Base-Base interactions energy: -61.082
where: short stacking energy: -35.015
Base-Backbone interact. energy: -0.247
local terms energy: -53.502469
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -107.807051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.807051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.807051 (E_RNA)
where:
Base-Base interactions energy: -53.769
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.080
local terms energy: -53.957733
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 0.134
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -83.424995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424995 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -32.147
Base-Backbone interact. energy: -0.057
local terms energy: -49.774434
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -80.030392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.030392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.030392 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -18.039
Base-Backbone interact. energy: 0.067
local terms energy: -49.570068
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -86.870781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870781 (E_RNA)
where:
Base-Base interactions energy: -31.017
where: short stacking energy: -31.017
Base-Backbone interact. energy: 0.396
local terms energy: -56.249452
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -4.944
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: 341
Temperature: 1.350000
Total energy: -83.742229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742229 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.223
local terms energy: -55.494262
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.743
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -191.923675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.923675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.923675 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -67.167
Base-Backbone interact. energy: 0.312
local terms energy: -75.730843
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -200.990457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990457 (E_RNA)
where:
Base-Base interactions energy: -123.454
where: short stacking energy: -58.193
Base-Backbone interact. energy: -1.498
local terms energy: -76.038432
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -196.471771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.471771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.471771 (E_RNA)
where:
Base-Base interactions energy: -122.519
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.037
local terms energy: -73.915977
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -158.585190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.585190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.585190 (E_RNA)
where:
Base-Base interactions energy: -83.976
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.017
local terms energy: -74.592106
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -118.016043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.016043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.016043 (E_RNA)
where:
Base-Base interactions energy: -74.892
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.341
local terms energy: -42.783252
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: 0.780
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -97.900618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.900618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.900618 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.064
local terms energy: -55.215619
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -6.861
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: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -97.603820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.603820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.603820 (E_RNA)
where:
Base-Base interactions energy: -42.420
where: short stacking energy: -41.350
Base-Backbone interact. energy: 0.211
local terms energy: -55.394980
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -94.581753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.581753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.581753 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.530
local terms energy: -56.725107
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -10.810
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -82.509158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509158 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.121
local terms energy: -46.782775
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -76.625029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.625029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.625029 (E_RNA)
where:
Base-Base interactions energy: -35.225
where: short stacking energy: -34.102
Base-Backbone interact. energy: -0.191
local terms energy: -41.209042
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -1.845
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -186.109861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.109861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.109861 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.184
local terms energy: -72.775238
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -14.022
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -210.693495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.693495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.693495 (E_RNA)
where:
Base-Base interactions energy: -133.804
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.256
local terms energy: -76.634079
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -191.530193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530193 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -58.586
Base-Backbone interact. energy: 0.269
local terms energy: -79.261932
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -131.164534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.164534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.164534 (E_RNA)
where:
Base-Base interactions energy: -76.609
where: short stacking energy: -45.333
Base-Backbone interact. energy: -0.431
local terms energy: -54.124462
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -103.406012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.406012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.406012 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.090
local terms energy: -54.919256
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -99.942038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.942038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.942038 (E_RNA)
where:
Base-Base interactions energy: -45.240
where: short stacking energy: -40.697
Base-Backbone interact. energy: -1.123
local terms energy: -53.579164
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -4.566
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: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -88.385256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.385256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.385256 (E_RNA)
where:
Base-Base interactions energy: -39.522
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.237
local terms energy: -48.625946
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.570088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.570088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.570088 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.249
local terms energy: -54.352820
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -12.902
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: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -75.475609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.475609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.475609 (E_RNA)
where:
Base-Base interactions energy: -38.677
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.014
local terms energy: -36.784757
where:
bonds (distance) C4'-P energy: -2.746
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -80.670754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.670754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.670754 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.595
local terms energy: -47.954694
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -4.741
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -0.928
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: 344
Temperature: 0.900000
Total energy: -188.915578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.915578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915578 (E_RNA)
where:
Base-Base interactions energy: -110.451
where: short stacking energy: -67.997
Base-Backbone interact. energy: -1.313
local terms energy: -77.151444
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -16.391
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: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -203.985743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.985743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.985743 (E_RNA)
where:
Base-Base interactions energy: -135.130
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.223
local terms energy: -68.632868
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -192.397917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.397917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.397917 (E_RNA)
where:
Base-Base interactions energy: -118.100
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.001
local terms energy: -74.297418
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -114.812058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.812058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.812058 (E_RNA)
where:
Base-Base interactions energy: -48.899
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.190
local terms energy: -65.723529
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.673
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: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -111.604034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.604034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.604034 (E_RNA)
where:
Base-Base interactions energy: -46.707
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.039
local terms energy: -64.857905
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -6.871
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: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -101.410449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.410449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.410449 (E_RNA)
where:
Base-Base interactions energy: -43.779
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.519
local terms energy: -57.112451
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -92.212465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212465 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -37.210
Base-Backbone interact. energy: -0.143
local terms energy: -54.859392
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -80.001242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.001242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.001242 (E_RNA)
where:
Base-Base interactions energy: -23.414
where: short stacking energy: -23.414
Base-Backbone interact. energy: -0.040
local terms energy: -56.547912
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -5.992
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: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -80.186951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.186951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.186951 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.047
local terms energy: -47.220314
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -80.235349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235349 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.763
local terms energy: -44.796714
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -4.505
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: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -197.686411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.686411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.686411 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.146
local terms energy: -76.645704
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -20.065
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: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -203.577173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.577173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.577173 (E_RNA)
where:
Base-Base interactions energy: -129.860
where: short stacking energy: -62.101
Base-Backbone interact. energy: 0.065
local terms energy: -73.782066
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.340
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -189.996519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.996519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.996519 (E_RNA)
where:
Base-Base interactions energy: -120.548
where: short stacking energy: -62.838
Base-Backbone interact. energy: 0.842
local terms energy: -70.290478
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -105.338654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.338654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.338654 (E_RNA)
where:
Base-Base interactions energy: -43.488
where: short stacking energy: -43.488
Base-Backbone interact. energy: 1.315
local terms energy: -63.164865
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -115.343824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.343824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.343824 (E_RNA)
where:
Base-Base interactions energy: -62.497
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.038
local terms energy: -52.809663
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -108.202406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.202406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.202406 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.472
local terms energy: -68.372088
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -92.289028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289028 (E_RNA)
where:
Base-Base interactions energy: -45.264
where: short stacking energy: -34.175
Base-Backbone interact. energy: 0.608
local terms energy: -47.632384
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -9.667
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: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -82.856406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.856406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.856406 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.078
local terms energy: -54.747497
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -74.764611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.764611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.764611 (E_RNA)
where:
Base-Base interactions energy: -21.082
where: short stacking energy: -16.731
Base-Backbone interact. energy: -0.259
local terms energy: -53.423205
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -87.506252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506252 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.100
local terms energy: -59.885002
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -195.420382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.420382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.420382 (E_RNA)
where:
Base-Base interactions energy: -114.297
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.476
local terms energy: -80.647717
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -20.190
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: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -203.175348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175348 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.102
local terms energy: -75.895365
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.124
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -189.995196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.995196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.995196 (E_RNA)
where:
Base-Base interactions energy: -117.414
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.002
local terms energy: -72.578742
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -106.881394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.881394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.881394 (E_RNA)
where:
Base-Base interactions energy: -42.560
where: short stacking energy: -41.872
Base-Backbone interact. energy: -0.014
local terms energy: -64.308104
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -13.041
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -104.623611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.623611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.623611 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.160
local terms energy: -59.343553
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -5.833
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: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -93.767501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767501 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -30.861
Base-Backbone interact. energy: -1.038
local terms energy: -46.593630
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -89.488366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488366 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -36.152
Base-Backbone interact. energy: -0.486
local terms energy: -51.025714
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -90.885966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.885966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.885966 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -35.488
Base-Backbone interact. energy: -0.042
local terms energy: -50.614458
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -10.349
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: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -81.407805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.407805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.407805 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -20.846
Base-Backbone interact. energy: -0.424
local terms energy: -49.009749
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -74.355882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.355882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.355882 (E_RNA)
where:
Base-Base interactions energy: -29.554
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.091
local terms energy: -44.710091
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -196.828474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.828474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.828474 (E_RNA)
where:
Base-Base interactions energy: -123.412
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.248
local terms energy: -73.169219
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -186.587948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.587948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.587948 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.113
local terms energy: -71.621762
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -198.377058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377058 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -57.591
Base-Backbone interact. energy: 0.522
local terms energy: -73.734902
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -115.992490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.992490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.992490 (E_RNA)
where:
Base-Base interactions energy: -62.978
where: short stacking energy: -42.737
Base-Backbone interact. energy: -0.235
local terms energy: -52.779832
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.087
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: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -107.974051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.974051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.974051 (E_RNA)
where:
Base-Base interactions energy: -53.266
where: short stacking energy: -42.722
Base-Backbone interact. energy: 2.375
local terms energy: -57.083428
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -95.851968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851968 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.222
local terms energy: -56.738114
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -1.298
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: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -99.284946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.284946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.284946 (E_RNA)
where:
Base-Base interactions energy: -44.207
where: short stacking energy: -33.406
Base-Backbone interact. energy: -0.176
local terms energy: -54.901412
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -106.294966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.294966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.294966 (E_RNA)
where:
Base-Base interactions energy: -55.143
where: short stacking energy: -30.151
Base-Backbone interact. energy: -0.614
local terms energy: -50.537141
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -7.067
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: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -78.381529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.381529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.381529 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.098
local terms energy: -44.692728
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -72.368525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.368525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.368525 (E_RNA)
where:
Base-Base interactions energy: -24.337
where: short stacking energy: -24.337
Base-Backbone interact. energy: -0.773
local terms energy: -47.258694
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -205.030817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.030817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.030817 (E_RNA)
where:
Base-Base interactions energy: -119.201
where: short stacking energy: -71.398
Base-Backbone interact. energy: -0.096
local terms energy: -85.733089
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -202.364095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.364095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.364095 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.118
local terms energy: -78.138237
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -198.440764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440764 (E_RNA)
where:
Base-Base interactions energy: -130.253
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.579
local terms energy: -67.608314
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -108.372023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.372023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.372023 (E_RNA)
where:
Base-Base interactions energy: -48.718
where: short stacking energy: -43.003
Base-Backbone interact. energy: -0.012
local terms energy: -59.642992
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -8.818
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -100.259235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259235 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.999
local terms energy: -59.421046
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -102.464734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.464734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.464734 (E_RNA)
where:
Base-Base interactions energy: -47.177
where: short stacking energy: -47.177
Base-Backbone interact. energy: -0.648
local terms energy: -54.639683
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -101.176321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.176321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.176321 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -39.125
Base-Backbone interact. energy: -0.105
local terms energy: -61.734300
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -99.613715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.613715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.613715 (E_RNA)
where:
Base-Base interactions energy: -42.281
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.351
local terms energy: -56.981749
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.701424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.701424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.701424 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.094
local terms energy: -48.257163
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -6.374
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: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -73.257841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.257841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.257841 (E_RNA)
where:
Base-Base interactions energy: -26.240
where: short stacking energy: -25.667
Base-Backbone interact. energy: 0.753
local terms energy: -47.771571
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -11.007
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: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -199.918435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.918435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.918435 (E_RNA)
where:
Base-Base interactions energy: -118.188
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.005
local terms energy: -81.724990
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -189.503965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.503965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.503965 (E_RNA)
where:
Base-Base interactions energy: -111.814
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.073
local terms energy: -77.617746
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -188.714981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.714981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.714981 (E_RNA)
where:
Base-Base interactions energy: -113.601
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.040
local terms energy: -75.073627
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -21.911
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: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -107.150156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.150156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.150156 (E_RNA)
where:
Base-Base interactions energy: -47.804
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.081
local terms energy: -59.264732
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -13.128
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: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -103.369441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.369441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.369441 (E_RNA)
where:
Base-Base interactions energy: -47.942
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.038
local terms energy: -55.389343
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -6.817
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: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -98.073273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.073273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.073273 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -36.753
Base-Backbone interact. energy: 0.497
local terms energy: -60.289892
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -6.591
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: 349
Temperature: 1.200000
Total energy: -94.250136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.250136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.250136 (E_RNA)
where:
Base-Base interactions energy: -38.673
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.016
local terms energy: -55.560959
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -7.955
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: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -83.303051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.303051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.303051 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.157
local terms energy: -46.213741
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -82.050536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.050536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.050536 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -19.203
Base-Backbone interact. energy: -0.212
local terms energy: -46.095493
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -82.590499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.590499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.590499 (E_RNA)
where:
Base-Base interactions energy: -26.010
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.149
local terms energy: -56.431262
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.777
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: 350
Temperature: 0.900000
Total energy: -201.961576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.961576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.961576 (E_RNA)
where:
Base-Base interactions energy: -127.872
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.463
local terms energy: -73.626723
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -195.573765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.573765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.573765 (E_RNA)
where:
Base-Base interactions energy: -114.448
where: short stacking energy: -73.172
Base-Backbone interact. energy: 0.179
local terms energy: -81.304464
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -179.936554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.936554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.936554 (E_RNA)
where:
Base-Base interactions energy: -111.599
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.001
local terms energy: -68.336960
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -146.839359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.839359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.839359 (E_RNA)
where:
Base-Base interactions energy: -81.561
where: short stacking energy: -46.769
Base-Backbone interact. energy: -0.013
local terms energy: -65.265261
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -116.281313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.281313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.281313 (E_RNA)
where:
Base-Base interactions energy: -55.617
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.098
local terms energy: -60.566392
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -94.293188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293188 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.059
local terms energy: -61.270732
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -99.191199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191199 (E_RNA)
where:
Base-Base interactions energy: -37.639
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.099
local terms energy: -61.453641
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.879
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: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -99.336416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.336416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.336416 (E_RNA)
where:
Base-Base interactions energy: -49.015
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.183
local terms energy: -50.137888
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -83.549267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.549267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.549267 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -24.818
Base-Backbone interact. energy: -0.063
local terms energy: -55.277923
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -79.689518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.689518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.689518 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -27.954
Base-Backbone interact. energy: -0.356
local terms energy: -42.151499
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -200.264614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.264614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.264614 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.091
local terms energy: -72.502522
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -18.279
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -193.872145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.872145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.872145 (E_RNA)
where:
Base-Base interactions energy: -118.863
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.015
local terms energy: -74.993959
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -194.014087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.014087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.014087 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.000
local terms energy: -75.305553
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -161.846876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.846876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.846876 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -48.840
Base-Backbone interact. energy: -0.109
local terms energy: -58.866014
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -109.344585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.344585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.344585 (E_RNA)
where:
Base-Base interactions energy: -50.550
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.222
local terms energy: -58.572673
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -100.887893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.887893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.887893 (E_RNA)
where:
Base-Base interactions energy: -44.433
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.215
local terms energy: -56.240104
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -92.420164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420164 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.014
local terms energy: -54.510807
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -96.179633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.179633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.179633 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.041
local terms energy: -56.958555
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.066295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066295 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.487
local terms energy: -52.169590
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.476904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.476904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.476904 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.225
local terms energy: -45.938133
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -1.962
tors. eta vs tors. theta energy: 1.092
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: 352
Temperature: 0.900000
Total energy: -196.651809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651809 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.008
local terms energy: -74.394611
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -194.984861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.984861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.984861 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -66.555
Base-Backbone interact. energy: -0.416
local terms energy: -74.510231
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -185.218917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.218917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.218917 (E_RNA)
where:
Base-Base interactions energy: -113.024
where: short stacking energy: -67.085
Base-Backbone interact. energy: -0.010
local terms energy: -72.184951
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -157.404667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.404667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.404667 (E_RNA)
where:
Base-Base interactions energy: -90.765
where: short stacking energy: -48.825
Base-Backbone interact. energy: -0.346
local terms energy: -66.293838
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -101.485733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.485733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.485733 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.674
local terms energy: -55.160852
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -7.772
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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -91.895294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.895294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.895294 (E_RNA)
where:
Base-Base interactions energy: -40.969
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.295
local terms energy: -50.630976
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -2.466
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: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -84.584576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.584576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.584576 (E_RNA)
where:
Base-Base interactions energy: -25.460
where: short stacking energy: -24.908
Base-Backbone interact. energy: -0.327
local terms energy: -58.798383
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -81.246266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246266 (E_RNA)
where:
Base-Base interactions energy: -26.746
where: short stacking energy: -21.414
Base-Backbone interact. energy: -0.155
local terms energy: -54.345078
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -7.914
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -97.610935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.610935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.610935 (E_RNA)
where:
Base-Base interactions energy: -39.465
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.132
local terms energy: -58.013993
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -78.968196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.968196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.968196 (E_RNA)
where:
Base-Base interactions energy: -25.024
where: short stacking energy: -24.420
Base-Backbone interact. energy: -0.581
local terms energy: -53.362909
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.741
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: 353
Temperature: 0.900000
Total energy: -203.915222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.915222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.915222 (E_RNA)
where:
Base-Base interactions energy: -117.465
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.003
local terms energy: -86.446501
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -193.928674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.928674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.928674 (E_RNA)
where:
Base-Base interactions energy: -121.045
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.002
local terms energy: -72.881429
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -193.248495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248495 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.793
local terms energy: -65.695067
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -107.934409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.934409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.934409 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -46.541
Base-Backbone interact. energy: -0.090
local terms energy: -61.303214
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -149.668898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.668898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.668898 (E_RNA)
where:
Base-Base interactions energy: -85.402
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.140
local terms energy: -64.126875
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -11.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -112.080545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.080545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.080545 (E_RNA)
where:
Base-Base interactions energy: -45.568
where: short stacking energy: -44.754
Base-Backbone interact. energy: -0.007
local terms energy: -66.505587
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -83.751393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.751393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.751393 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.141
local terms energy: -49.006622
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -5.007
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: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -86.895855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.895855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.895855 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -36.312
Base-Backbone interact. energy: 0.951
local terms energy: -50.903294
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.471
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: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -87.875619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875619 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.013
local terms energy: -55.907276
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -74.687228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.687228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.687228 (E_RNA)
where:
Base-Base interactions energy: -20.236
where: short stacking energy: -20.236
Base-Backbone interact. energy: -0.201
local terms energy: -54.251009
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -205.920224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.920224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.920224 (E_RNA)
where:
Base-Base interactions energy: -124.242
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.464
local terms energy: -81.214285
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -197.257742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.257742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.257742 (E_RNA)
where:
Base-Base interactions energy: -120.048
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.000
local terms energy: -77.208841
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -21.617
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -187.719353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.719353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.719353 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -62.314
Base-Backbone interact. energy: -0.346
local terms energy: -70.940433
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -105.266488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266488 (E_RNA)
where:
Base-Base interactions energy: -46.348
where: short stacking energy: -39.988
Base-Backbone interact. energy: -0.004
local terms energy: -58.913912
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.329
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: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -136.815335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.815335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.815335 (E_RNA)
where:
Base-Base interactions energy: -70.020
where: short stacking energy: -39.836
Base-Backbone interact. energy: -0.720
local terms energy: -66.076029
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -95.072542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.072542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.072542 (E_RNA)
where:
Base-Base interactions energy: -41.678
where: short stacking energy: -35.964
Base-Backbone interact. energy: -0.211
local terms energy: -53.184143
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -9.328
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: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -90.081844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.081844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.081844 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.284
local terms energy: -54.060645
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -87.417031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417031 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -31.752
Base-Backbone interact. energy: -0.022
local terms energy: -46.603629
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -73.365871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.365871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.365871 (E_RNA)
where:
Base-Base interactions energy: -29.188
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.104
local terms energy: -44.073537
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -80.436997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.436997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.436997 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.110
local terms energy: -41.657072
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -202.963638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.963638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.963638 (E_RNA)
where:
Base-Base interactions energy: -122.536
where: short stacking energy: -74.823
Base-Backbone interact. energy: 0.196
local terms energy: -80.623162
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -14.603
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: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -190.458344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.458344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.458344 (E_RNA)
where:
Base-Base interactions energy: -114.589
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.001
local terms energy: -75.868962
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -15.593
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: 355
Temperature: 1.000000
Total energy: -204.602465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.602465 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.279
local terms energy: -74.674504
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -106.450269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.450269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.450269 (E_RNA)
where:
Base-Base interactions energy: -55.487
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.083
local terms energy: -50.880473
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -105.156586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.156586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.156586 (E_RNA)
where:
Base-Base interactions energy: -47.572
where: short stacking energy: -44.385
Base-Backbone interact. energy: -0.160
local terms energy: -57.424341
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -101.448452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.448452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.448452 (E_RNA)
where:
Base-Base interactions energy: -51.808
where: short stacking energy: -41.482
Base-Backbone interact. energy: -0.077
local terms energy: -49.562764
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.332
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: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -85.023964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023964 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.091
local terms energy: -53.335230
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.861
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: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -89.460237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.460237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.460237 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.058
local terms energy: -53.453324
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -8.553
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: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -87.353698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.353698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.353698 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -23.240
Base-Backbone interact. energy: -0.045
local terms energy: -53.673776
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -75.517410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.517410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.517410 (E_RNA)
where:
Base-Base interactions energy: -25.997
where: short stacking energy: -25.739
Base-Backbone interact. energy: -0.077
local terms energy: -49.443462
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: 0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -203.161127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.161127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.161127 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.001
local terms energy: -80.848143
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -20.097
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: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -196.942420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.942420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.942420 (E_RNA)
where:
Base-Base interactions energy: -118.281
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.012
local terms energy: -78.649669
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.914
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: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -198.621108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.621108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.621108 (E_RNA)
where:
Base-Base interactions energy: -129.664
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.192
local terms energy: -68.764439
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -117.328535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.328535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.328535 (E_RNA)
where:
Base-Base interactions energy: -51.528
where: short stacking energy: -40.223
Base-Backbone interact. energy: -1.177
local terms energy: -64.623809
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -114.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.002152 (E_RNA)
where:
Base-Base interactions energy: -54.007
where: short stacking energy: -41.960
Base-Backbone interact. energy: -0.015
local terms energy: -59.980109
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -96.557817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557817 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -33.942
Base-Backbone interact. energy: 0.101
local terms energy: -60.866043
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -9.469
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: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -93.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583680 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.170
local terms energy: -59.797135
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -9.128
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: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -89.988139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.988139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.988139 (E_RNA)
where:
Base-Base interactions energy: -48.321
where: short stacking energy: -36.451
Base-Backbone interact. energy: -0.223
local terms energy: -41.443637
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -1.844
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: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -84.106861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.106861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.106861 (E_RNA)
where:
Base-Base interactions energy: -34.584
where: short stacking energy: -29.016
Base-Backbone interact. energy: 0.668
local terms energy: -50.191200
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -5.708
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: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -73.197629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.197629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.197629 (E_RNA)
where:
Base-Base interactions energy: -27.436
where: short stacking energy: -27.000
Base-Backbone interact. energy: 0.395
local terms energy: -46.156347
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -197.839177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.839177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.839177 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.149
local terms energy: -73.593866
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -190.258027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.258027 (E_RNA)
where:
Base-Base interactions energy: -113.492
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.008
local terms energy: -76.757995
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.831
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: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -199.784508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.784508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.784508 (E_RNA)
where:
Base-Base interactions energy: -122.015
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.003
local terms energy: -77.766930
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -111.616094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.616094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.616094 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -46.742
Base-Backbone interact. energy: 0.823
local terms energy: -65.697721
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -10.871
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: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -109.985038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.985038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.985038 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -45.513
Base-Backbone interact. energy: -0.000
local terms energy: -64.472067
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -105.281984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.281984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.281984 (E_RNA)
where:
Base-Base interactions energy: -51.843
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.100
local terms energy: -53.339507
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -3.962
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -81.960992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.960992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.960992 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.156
local terms energy: -52.362305
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -103.642458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.642458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.642458 (E_RNA)
where:
Base-Base interactions energy: -52.072
where: short stacking energy: -47.397
Base-Backbone interact. energy: -0.041
local terms energy: -51.528615
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -83.185825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185825 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -22.983
Base-Backbone interact. energy: -0.040
local terms energy: -49.071298
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.224951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.224951 (E_RNA)
where:
Base-Base interactions energy: -24.520
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.023
local terms energy: -55.681954
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -201.699631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.699631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699631 (E_RNA)
where:
Base-Base interactions energy: -125.257
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.858
local terms energy: -75.584760
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -197.484094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.484094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.484094 (E_RNA)
where:
Base-Base interactions energy: -120.809
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.009
local terms energy: -76.666189
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -188.044060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044060 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.122
local terms energy: -67.292725
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.172
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: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -106.448785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.448785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.448785 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -44.526
Base-Backbone interact. energy: -1.286
local terms energy: -60.128251
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -101.322046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.322046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.322046 (E_RNA)
where:
Base-Base interactions energy: -42.289
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.066
local terms energy: -58.967671
where:
bonds (distance) C4'-P energy: -6.847
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -12.144
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: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -95.968647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968647 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -29.331
Base-Backbone interact. energy: -0.348
local terms energy: -51.982299
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -1.797
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -91.105692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.105692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.105692 (E_RNA)
where:
Base-Base interactions energy: -28.620
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.059
local terms energy: -62.426391
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -94.254064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.254064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.254064 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.113
local terms energy: -62.624509
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -94.397661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.397661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.397661 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.287
local terms energy: -50.714048
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -77.706571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.706571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.706571 (E_RNA)
where:
Base-Base interactions energy: -27.793
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.115
local terms energy: -49.798558
where:
bonds (distance) C4'-P energy: -3.902
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -199.128733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128733 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -68.467
Base-Backbone interact. energy: 0.142
local terms energy: -81.523899
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -193.037621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.037621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.037621 (E_RNA)
where:
Base-Base interactions energy: -119.058
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.494
local terms energy: -73.485512
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -194.260982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.260982 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -74.195
Base-Backbone interact. energy: -0.003
local terms energy: -69.011365
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -110.280158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280158 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.245
local terms energy: -52.923944
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -111.609997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609997 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -39.912
Base-Backbone interact. energy: -0.099
local terms energy: -61.834958
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -9.985
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: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -93.654525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.654525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.654525 (E_RNA)
where:
Base-Base interactions energy: -43.367
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.355
local terms energy: -49.932278
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -85.562426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562426 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -37.079
Base-Backbone interact. energy: -0.060
local terms energy: -48.286458
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.260
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: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -97.763910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.763910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.763910 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.231
local terms energy: -55.542818
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -85.549198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.549198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.549198 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.026
local terms energy: -49.249904
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -79.227552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227552 (E_RNA)
where:
Base-Base interactions energy: -21.108
where: short stacking energy: -21.108
Base-Backbone interact. energy: -0.251
local terms energy: -57.868849
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -195.950190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.950190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.950190 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -68.224
Base-Backbone interact. energy: 0.325
local terms energy: -75.821463
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -194.714555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.714555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.714555 (E_RNA)
where:
Base-Base interactions energy: -126.275
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.162
local terms energy: -68.277051
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -7.150
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: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -199.303384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.303384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.303384 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -74.623
Base-Backbone interact. energy: -0.018
local terms energy: -73.910016
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -115.168292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.168292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.168292 (E_RNA)
where:
Base-Base interactions energy: -55.986
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.479
local terms energy: -58.702976
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -118.707290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.707290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.707290 (E_RNA)
where:
Base-Base interactions energy: -64.130
where: short stacking energy: -46.791
Base-Backbone interact. energy: -0.025
local terms energy: -54.551712
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -0.784
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: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -136.064552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.064552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.064552 (E_RNA)
where:
Base-Base interactions energy: -72.111
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.027
local terms energy: -63.926351
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.802
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: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -84.416667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.416667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.416667 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.580
local terms energy: -48.223742
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -3.494
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: 360
Temperature: 1.250000
Total energy: -87.339330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.339330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.339330 (E_RNA)
where:
Base-Base interactions energy: -27.514
where: short stacking energy: -21.425
Base-Backbone interact. energy: -1.038
local terms energy: -58.787978
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.229
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -83.137426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137426 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -32.908
Base-Backbone interact. energy: -1.217
local terms energy: -44.644892
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -92.877521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.877521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.877521 (E_RNA)
where:
Base-Base interactions energy: -44.237
where: short stacking energy: -37.011
Base-Backbone interact. energy: -0.200
local terms energy: -48.441265
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -192.325534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.325534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.325534 (E_RNA)
where:
Base-Base interactions energy: -115.841
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.081
local terms energy: -76.403569
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -197.425165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.425165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.425165 (E_RNA)
where:
Base-Base interactions energy: -122.242
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.360
local terms energy: -74.823342
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -198.554138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.554138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.554138 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.078
local terms energy: -72.813792
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -116.971604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.971604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.971604 (E_RNA)
where:
Base-Base interactions energy: -50.144
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.071
local terms energy: -66.756551
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -13.698
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: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -106.504793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.504793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.504793 (E_RNA)
where:
Base-Base interactions energy: -55.355
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.617
local terms energy: -50.532539
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.409
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: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -106.947502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.947502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.947502 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -45.051
Base-Backbone interact. energy: -0.187
local terms energy: -56.951049
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.666
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -92.398853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.398853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.398853 (E_RNA)
where:
Base-Base interactions energy: -46.801
where: short stacking energy: -40.780
Base-Backbone interact. energy: 0.018
local terms energy: -45.616004
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -108.579354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.579354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.579354 (E_RNA)
where:
Base-Base interactions energy: -55.336
where: short stacking energy: -33.926
Base-Backbone interact. energy: 1.068
local terms energy: -54.311429
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.111
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: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.604606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.604606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.604606 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -23.388
Base-Backbone interact. energy: -0.490
local terms energy: -47.049197
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -80.350245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350245 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.654
local terms energy: -46.569358
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -192.354699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.354699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.354699 (E_RNA)
where:
Base-Base interactions energy: -118.904
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.083
local terms energy: -73.367389
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -186.449752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.449752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.449752 (E_RNA)
where:
Base-Base interactions energy: -107.731
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.083
local terms energy: -78.636254
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -188.001752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.001752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.001752 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.098
local terms energy: -66.863398
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -15.578
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -125.287885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.287885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.287885 (E_RNA)
where:
Base-Base interactions energy: -60.891
where: short stacking energy: -45.168
Base-Backbone interact. energy: -0.205
local terms energy: -64.191938
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -12.320
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -118.801023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.801023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.801023 (E_RNA)
where:
Base-Base interactions energy: -62.952
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.004
local terms energy: -55.845142
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -7.917
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: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -105.165282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.165282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.165282 (E_RNA)
where:
Base-Base interactions energy: -47.822
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.776
local terms energy: -56.567248
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -10.014
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -95.048988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.048988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.048988 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.027
local terms energy: -58.307930
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.047
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -103.839396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.839396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.839396 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -33.605
Base-Backbone interact. energy: 0.044
local terms energy: -50.098854
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -1.879
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -81.747400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.747400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.747400 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.607
local terms energy: -47.274301
where:
bonds (distance) C4'-P energy: -6.933
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.071
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -86.456008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.456008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.456008 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.003
local terms energy: -51.477988
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -210.593364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.593364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593364 (E_RNA)
where:
Base-Base interactions energy: -127.236
where: short stacking energy: -75.562
Base-Backbone interact. energy: -0.063
local terms energy: -83.295299
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -197.353817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.353817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.353817 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.824
local terms energy: -65.272494
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -179.792262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.792262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.792262 (E_RNA)
where:
Base-Base interactions energy: -109.801
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.161
local terms energy: -69.830483
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -130.487013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.487013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.487013 (E_RNA)
where:
Base-Base interactions energy: -66.506
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.338
local terms energy: -63.642511
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -103.064846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.064846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.064846 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -39.603
Base-Backbone interact. energy: -0.005
local terms energy: -63.457635
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -101.350183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.350183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.350183 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.143
local terms energy: -62.736160
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -99.055353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.055353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.055353 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.106
local terms energy: -56.857060
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -12.569
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: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -86.380836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.380836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.380836 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -35.085
Base-Backbone interact. energy: -0.223
local terms energy: -48.446825
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -81.300609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300609 (E_RNA)
where:
Base-Base interactions energy: -41.782
where: short stacking energy: -26.894
Base-Backbone interact. energy: -0.121
local terms energy: -39.397605
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -8.486
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -3.111
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: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -84.877091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.877091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.877091 (E_RNA)
where:
Base-Base interactions energy: -38.951
where: short stacking energy: -38.861
Base-Backbone interact. energy: -0.438
local terms energy: -45.488528
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -195.464807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.464807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.464807 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -66.622
Base-Backbone interact. energy: -0.051
local terms energy: -76.850968
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -201.248822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.248822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.248822 (E_RNA)
where:
Base-Base interactions energy: -125.117
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.060
local terms energy: -76.071706
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -14.039
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: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -178.621191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.621191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.621191 (E_RNA)
where:
Base-Base interactions energy: -109.201
where: short stacking energy: -54.557
Base-Backbone interact. energy: 2.195
local terms energy: -71.615012
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.522
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: 364
Temperature: 1.050000
Total energy: -116.697149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.697149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.697149 (E_RNA)
where:
Base-Base interactions energy: -53.416
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.013
local terms energy: -63.267904
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -93.747963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.747963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.747963 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -30.719
Base-Backbone interact. energy: 0.339
local terms energy: -62.845402
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -94.491436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.491436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.491436 (E_RNA)
where:
Base-Base interactions energy: -40.859
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.818
local terms energy: -52.814509
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -11.852
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: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -94.813706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.813706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.813706 (E_RNA)
where:
Base-Base interactions energy: -32.847
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.664
local terms energy: -61.302863
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -94.763211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.763211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.763211 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.560
local terms energy: -54.467167
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.281
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -74.870585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.870585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.870585 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.016
local terms energy: -49.956940
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -89.039862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.039862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.039862 (E_RNA)
where:
Base-Base interactions energy: -46.009
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.079
local terms energy: -42.951545
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -195.839707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.839707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.839707 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.000
local terms energy: -78.145901
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -179.992910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992910 (E_RNA)
where:
Base-Base interactions energy: -106.703
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.074
local terms energy: -73.215431
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -17.974
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: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -189.783663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.783663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.783663 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.211
local terms energy: -73.911521
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -17.676
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: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -118.968015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.968015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.968015 (E_RNA)
where:
Base-Base interactions energy: -56.917
where: short stacking energy: -35.146
Base-Backbone interact. energy: -1.575
local terms energy: -60.475519
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -9.123
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: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -97.745376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.745376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.745376 (E_RNA)
where:
Base-Base interactions energy: -36.325
where: short stacking energy: -36.325
Base-Backbone interact. energy: -0.229
local terms energy: -61.191923
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -5.191
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: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -95.289080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.289080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.289080 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.351
local terms energy: -54.666643
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: 0.570
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: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -89.697956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.697956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.697956 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.030
local terms energy: -59.105508
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -88.000576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.000576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.000576 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.039
local terms energy: -53.952805
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -8.606
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: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -81.346143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346143 (E_RNA)
where:
Base-Base interactions energy: -36.598
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.213
local terms energy: -44.535313
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.924
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: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -94.365560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365560 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.158
local terms energy: -59.349609
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -8.746
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: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -195.460239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.460239 (E_RNA)
where:
Base-Base interactions energy: -114.486
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.029
local terms energy: -80.944955
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.842
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -172.368067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.368067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.368067 (E_RNA)
where:
Base-Base interactions energy: -105.983
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.063
local terms energy: -66.322588
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -193.872926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.872926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.872926 (E_RNA)
where:
Base-Base interactions energy: -119.318
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.170
local terms energy: -74.385415
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -15.748
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: 366
Temperature: 1.050000
Total energy: -106.945749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.945749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.945749 (E_RNA)
where:
Base-Base interactions energy: -48.123
where: short stacking energy: -33.994
Base-Backbone interact. energy: -0.104
local terms energy: -58.719342
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -105.346498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.346498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.346498 (E_RNA)
where:
Base-Base interactions energy: -43.281
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.816
local terms energy: -61.249219
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -104.952013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.952013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.952013 (E_RNA)
where:
Base-Base interactions energy: -48.554
where: short stacking energy: -37.482
Base-Backbone interact. energy: 1.621
local terms energy: -58.018795
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -92.854882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854882 (E_RNA)
where:
Base-Base interactions energy: -27.793
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.042
local terms energy: -65.020201
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -9.059
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: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -81.749367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.749367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.749367 (E_RNA)
where:
Base-Base interactions energy: -33.183
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.151
local terms energy: -48.414892
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -5.508
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: 366
Temperature: 1.300000
Total energy: -87.469326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.469326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.469326 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -29.238
Base-Backbone interact. energy: 0.032
local terms energy: -55.156098
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -87.155185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.155185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.155185 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.226
local terms energy: -50.096317
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -206.317040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.317040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.317040 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -76.780
Base-Backbone interact. energy: -0.068
local terms energy: -83.551123
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -11.336
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: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -203.753898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.753898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.753898 (E_RNA)
where:
Base-Base interactions energy: -129.417
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.199
local terms energy: -74.137918
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.687
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: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -180.546845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546845 (E_RNA)
where:
Base-Base interactions energy: -111.089
where: short stacking energy: -66.456
Base-Backbone interact. energy: 0.746
local terms energy: -70.204399
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -130.985092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.985092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.985092 (E_RNA)
where:
Base-Base interactions energy: -56.717
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.365
local terms energy: -73.902859
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.810
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: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -102.316228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.316228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.316228 (E_RNA)
where:
Base-Base interactions energy: -36.794
where: short stacking energy: -35.470
Base-Backbone interact. energy: -0.114
local terms energy: -65.409090
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -98.703423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.703423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.703423 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.206
local terms energy: -59.094866
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.470
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -95.123772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.123772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.123772 (E_RNA)
where:
Base-Base interactions energy: -41.506
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.289
local terms energy: -53.328333
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -10.686
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: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -87.487511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.487511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.487511 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -40.832
Base-Backbone interact. energy: -0.112
local terms energy: -46.543710
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -6.042
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.705737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705737 (E_RNA)
where:
Base-Base interactions energy: -32.458
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.225
local terms energy: -55.022756
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -74.885826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.885826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.885826 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.103
local terms energy: -43.814174
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -5.279
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: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -198.023677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.023677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.023677 (E_RNA)
where:
Base-Base interactions energy: -120.518
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.000
local terms energy: -77.505453
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -197.850398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.850398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.850398 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.221
local terms energy: -80.189485
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -190.059418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.059418 (E_RNA)
where:
Base-Base interactions energy: -115.067
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.373
local terms energy: -74.619973
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -17.456
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: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -128.688186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.688186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.688186 (E_RNA)
where:
Base-Base interactions energy: -70.732
where: short stacking energy: -38.492
Base-Backbone interact. energy: -0.244
local terms energy: -57.711622
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -110.247202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.247202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.247202 (E_RNA)
where:
Base-Base interactions energy: -51.601
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.003
local terms energy: -58.643713
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -106.272651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.272651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.272651 (E_RNA)
where:
Base-Base interactions energy: -47.482
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.002
local terms energy: -58.788529
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -12.639
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: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -91.740714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.740714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.740714 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.247
local terms energy: -52.013273
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -91.430940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.430940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.430940 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -39.121
Base-Backbone interact. energy: 0.134
local terms energy: -52.443976
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.494903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.494903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.494903 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.372
local terms energy: -49.051867
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -86.797790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.797790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.797790 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -20.366
Base-Backbone interact. energy: -1.225
local terms energy: -50.768327
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -205.627599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.627599 (E_RNA)
where:
Base-Base interactions energy: -122.810
where: short stacking energy: -74.212
Base-Backbone interact. energy: -1.032
local terms energy: -81.786424
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -23.493
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: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -191.347337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.347337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.347337 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -64.462
Base-Backbone interact. energy: -0.015
local terms energy: -68.438695
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -185.270749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.270749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.270749 (E_RNA)
where:
Base-Base interactions energy: -114.466
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.185
local terms energy: -70.619713
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -118.800572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.800572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.800572 (E_RNA)
where:
Base-Base interactions energy: -55.720
where: short stacking energy: -41.497
Base-Backbone interact. energy: -0.023
local terms energy: -63.057320
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -10.713
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -95.944909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.944909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.944909 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -30.160
Base-Backbone interact. energy: -0.222
local terms energy: -65.562443
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -97.437432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.437432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.437432 (E_RNA)
where:
Base-Base interactions energy: -48.714
where: short stacking energy: -35.068
Base-Backbone interact. energy: 0.269
local terms energy: -48.992085
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -6.716
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: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -84.936440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.936440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.936440 (E_RNA)
where:
Base-Base interactions energy: -32.251
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.108
local terms energy: -52.577266
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -89.491458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.491458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.491458 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -34.774
Base-Backbone interact. energy: -0.111
local terms energy: -47.753128
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -80.736503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.736503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.736503 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.313
local terms energy: -51.260776
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -85.594895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.594895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.594895 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -24.478
Base-Backbone interact. energy: -0.377
local terms energy: -45.509224
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -200.715350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.715350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.715350 (E_RNA)
where:
Base-Base interactions energy: -119.855
where: short stacking energy: -70.067
Base-Backbone interact. energy: 0.025
local terms energy: -80.884810
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -191.969094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.969094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.969094 (E_RNA)
where:
Base-Base interactions energy: -119.418
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.022
local terms energy: -72.529515
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -184.643232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.643232 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.557
local terms energy: -70.570719
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -130.245546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.245546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.245546 (E_RNA)
where:
Base-Base interactions energy: -70.878
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.232
local terms energy: -59.135413
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -5.657
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -110.416401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.416401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.416401 (E_RNA)
where:
Base-Base interactions energy: -49.636
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.162
local terms energy: -60.618200
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -88.578705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578705 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -28.917
Base-Backbone interact. energy: -0.046
local terms energy: -59.615790
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.349
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: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -86.545448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545448 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -25.610
Base-Backbone interact. energy: 0.002
local terms energy: -49.221688
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: 0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -78.241258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.241258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.241258 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -9.294
Base-Backbone interact. energy: -0.170
local terms energy: -46.473296
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: 3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -75.992735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992735 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -30.330
Base-Backbone interact. energy: -0.084
local terms energy: -45.288176
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -88.417753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417753 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.271
local terms energy: -47.085315
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -204.110394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.110394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.110394 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.054
local terms energy: -80.975855
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.733
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -183.112716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.112716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.112716 (E_RNA)
where:
Base-Base interactions energy: -107.991
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.022
local terms energy: -75.100049
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -199.737902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.737902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.737902 (E_RNA)
where:
Base-Base interactions energy: -126.629
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.202
local terms energy: -72.906965
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -104.302004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302004 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.011
local terms energy: -60.362946
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -95.880079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.880079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.880079 (E_RNA)
where:
Base-Base interactions energy: -42.415
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.006
local terms energy: -53.459376
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -91.453558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.453558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.453558 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -31.308
Base-Backbone interact. energy: 0.331
local terms energy: -60.476623
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -6.915
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: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -102.176848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.176848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.176848 (E_RNA)
where:
Base-Base interactions energy: -47.809
where: short stacking energy: -38.121
Base-Backbone interact. energy: -0.130
local terms energy: -54.237677
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -83.923774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923774 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -32.036
Base-Backbone interact. energy: -0.184
local terms energy: -51.166814
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -84.888027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.888027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.888027 (E_RNA)
where:
Base-Base interactions energy: -28.670
where: short stacking energy: -28.670
Base-Backbone interact. energy: -0.039
local terms energy: -56.178963
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -65.042922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.042922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.042922 (E_RNA)
where:
Base-Base interactions energy: -20.836
where: short stacking energy: -19.812
Base-Backbone interact. energy: -0.237
local terms energy: -43.969271
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -197.886222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.886222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.886222 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.133
local terms energy: -76.662758
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -198.469969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.469969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.469969 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.005
local terms energy: -80.519508
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -19.982
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: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -185.115818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.115818 (E_RNA)
where:
Base-Base interactions energy: -110.663
where: short stacking energy: -62.573
Base-Backbone interact. energy: 0.011
local terms energy: -74.463427
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -17.836
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: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -118.311753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.311753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.311753 (E_RNA)
where:
Base-Base interactions energy: -54.774
where: short stacking energy: -44.393
Base-Backbone interact. energy: -0.081
local terms energy: -63.456813
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -102.445890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445890 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.099
local terms energy: -61.400968
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -105.320429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.320429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.320429 (E_RNA)
where:
Base-Base interactions energy: -45.048
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.181
local terms energy: -60.091804
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.186
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: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -81.393917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.393917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.393917 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.378
local terms energy: -43.802333
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.495
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: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -86.909038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.909038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.909038 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.095
local terms energy: -53.506866
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.233
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: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -75.030237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.030237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.030237 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -23.727
Base-Backbone interact. energy: -0.630
local terms energy: -49.404919
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -69.328935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.328935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.328935 (E_RNA)
where:
Base-Base interactions energy: -16.566
where: short stacking energy: -17.566
Base-Backbone interact. energy: -0.143
local terms energy: -52.620581
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -6.681
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -197.537855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.537855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.537855 (E_RNA)
where:
Base-Base interactions energy: -121.706
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.400
local terms energy: -75.431345
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -21.190
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -192.494503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.494503 (E_RNA)
where:
Base-Base interactions energy: -119.612
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.004
local terms energy: -72.878645
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -178.938843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.938843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.938843 (E_RNA)
where:
Base-Base interactions energy: -110.057
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.014
local terms energy: -68.867785
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -108.611057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.611057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.611057 (E_RNA)
where:
Base-Base interactions energy: -56.210
where: short stacking energy: -34.969
Base-Backbone interact. energy: 0.104
local terms energy: -52.505156
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.145
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: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -106.324201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.324201 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.099
local terms energy: -62.854052
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.289
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: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -98.007769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.007769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.007769 (E_RNA)
where:
Base-Base interactions energy: -40.966
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.136
local terms energy: -56.906429
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -77.066530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.066530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.066530 (E_RNA)
where:
Base-Base interactions energy: -25.902
where: short stacking energy: -25.105
Base-Backbone interact. energy: -0.098
local terms energy: -51.066155
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -73.466377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.466377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.466377 (E_RNA)
where:
Base-Base interactions energy: -25.591
where: short stacking energy: -20.141
Base-Backbone interact. energy: -0.273
local terms energy: -47.602388
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -88.814216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814216 (E_RNA)
where:
Base-Base interactions energy: -42.032
where: short stacking energy: -35.955
Base-Backbone interact. energy: 1.327
local terms energy: -48.109522
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -5.901
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: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -79.523591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.523591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.523591 (E_RNA)
where:
Base-Base interactions energy: -23.269
where: short stacking energy: -22.986
Base-Backbone interact. energy: -0.056
local terms energy: -56.198056
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -209.485768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.485768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.485768 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -65.971
Base-Backbone interact. energy: 0.494
local terms energy: -72.771078
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -181.718230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718230 (E_RNA)
where:
Base-Base interactions energy: -104.207
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.651
local terms energy: -76.860343
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -16.351
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: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -178.430166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430166 (E_RNA)
where:
Base-Base interactions energy: -109.604
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.066
local terms energy: -68.760134
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -111.665468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.665468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.665468 (E_RNA)
where:
Base-Base interactions energy: -52.961
where: short stacking energy: -34.387
Base-Backbone interact. energy: -0.785
local terms energy: -57.919947
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -115.898680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.898680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.898680 (E_RNA)
where:
Base-Base interactions energy: -50.218
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.021
local terms energy: -65.660568
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -99.865769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.865769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.865769 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.961
local terms energy: -60.141270
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -90.953381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.953381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.953381 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.008
local terms energy: -53.458959
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.395
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: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -94.287841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.287841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.287841 (E_RNA)
where:
Base-Base interactions energy: -45.369
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.024
local terms energy: -48.895424
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -6.492
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: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -80.904841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904841 (E_RNA)
where:
Base-Base interactions energy: -33.974
where: short stacking energy: -22.875
Base-Backbone interact. energy: -0.209
local terms energy: -46.722151
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -72.333170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.333170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.333170 (E_RNA)
where:
Base-Base interactions energy: -27.794
where: short stacking energy: -27.794
Base-Backbone interact. energy: -0.024
local terms energy: -44.515529
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -211.312548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.312548 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.137
local terms energy: -71.826023
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -16.721
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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -185.332862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332862 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.458
local terms energy: -69.171136
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -198.804005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.804005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.804005 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.744
local terms energy: -81.794768
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -22.079
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: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -117.241717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.241717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.241717 (E_RNA)
where:
Base-Base interactions energy: -55.756
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.291
local terms energy: -61.194609
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -117.548322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.548322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.548322 (E_RNA)
where:
Base-Base interactions energy: -53.670
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.182
local terms energy: -63.695927
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.149
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: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -97.303000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.303000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.303000 (E_RNA)
where:
Base-Base interactions energy: -44.771
where: short stacking energy: -33.425
Base-Backbone interact. energy: -1.976
local terms energy: -50.556943
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.903
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: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -110.196323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.196323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.196323 (E_RNA)
where:
Base-Base interactions energy: -55.123
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.007
local terms energy: -55.066765
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.840
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -76.913974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.913974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.913974 (E_RNA)
where:
Base-Base interactions energy: -27.235
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.148
local terms energy: -49.531183
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -7.076
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.543
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: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -108.421977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.421977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.421977 (E_RNA)
where:
Base-Base interactions energy: -53.218
where: short stacking energy: -23.806
Base-Backbone interact. energy: -0.207
local terms energy: -54.997182
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -5.493
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -79.756044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756044 (E_RNA)
where:
Base-Base interactions energy: -25.673
where: short stacking energy: -23.359
Base-Backbone interact. energy: -0.323
local terms energy: -53.759723
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.911
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: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -218.097388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097388 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -61.401
Base-Backbone interact. energy: 0.148
local terms energy: -73.647198
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -180.357651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.357651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.357651 (E_RNA)
where:
Base-Base interactions energy: -111.541
where: short stacking energy: -54.679
Base-Backbone interact. energy: -0.585
local terms energy: -68.232212
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -182.020444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.020444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.020444 (E_RNA)
where:
Base-Base interactions energy: -109.543
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.075
local terms energy: -72.402622
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -109.043029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.043029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.043029 (E_RNA)
where:
Base-Base interactions energy: -46.355
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.006
local terms energy: -62.681851
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -102.687632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.687632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.687632 (E_RNA)
where:
Base-Base interactions energy: -49.624
where: short stacking energy: -34.682
Base-Backbone interact. energy: -0.999
local terms energy: -52.064743
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -101.521711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521711 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.171
local terms energy: -61.216247
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -92.200578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200578 (E_RNA)
where:
Base-Base interactions energy: -49.255
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.804
local terms energy: -42.140980
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -86.248807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248807 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.338
local terms energy: -46.760545
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -6.725
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: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.028772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028772 (E_RNA)
where:
Base-Base interactions energy: -33.610
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.605
local terms energy: -50.813523
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -7.900
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: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -88.497724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.497724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.497724 (E_RNA)
where:
Base-Base interactions energy: -49.251
where: short stacking energy: -32.912
Base-Backbone interact. energy: -1.402
local terms energy: -37.845288
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -212.873636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.873636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.873636 (E_RNA)
where:
Base-Base interactions energy: -137.778
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.135
local terms energy: -74.960208
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -194.472789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.472789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.472789 (E_RNA)
where:
Base-Base interactions energy: -117.270
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.015
local terms energy: -77.188016
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -194.835094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.835094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.835094 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -70.167
Base-Backbone interact. energy: -0.328
local terms energy: -78.471126
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -19.956
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: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -114.755541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.755541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.755541 (E_RNA)
where:
Base-Base interactions energy: -51.830
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.202
local terms energy: -62.722892
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -110.733955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.733955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.733955 (E_RNA)
where:
Base-Base interactions energy: -57.849
where: short stacking energy: -43.164
Base-Backbone interact. energy: -0.183
local terms energy: -52.702247
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -7.726
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -98.763741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.763741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.763741 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.057
local terms energy: -54.950673
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -95.003372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.003372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.003372 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.061
local terms energy: -56.936344
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -105.888380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.888380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.888380 (E_RNA)
where:
Base-Base interactions energy: -59.517
where: short stacking energy: -32.747
Base-Backbone interact. energy: 0.649
local terms energy: -47.021077
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.287
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: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.307856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307856 (E_RNA)
where:
Base-Base interactions energy: -44.893
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.131
local terms energy: -41.283378
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -86.613767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.613767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.613767 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.244
local terms energy: -44.291835
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: 0.366
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -211.249383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.249383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249383 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.098
local terms energy: -72.801778
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -192.495496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.495496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495496 (E_RNA)
where:
Base-Base interactions energy: -118.064
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.104
local terms energy: -74.327536
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -180.454720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454720 (E_RNA)
where:
Base-Base interactions energy: -106.836
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.245
local terms energy: -73.373815
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -14.746
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: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -110.425552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.425552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.425552 (E_RNA)
where:
Base-Base interactions energy: -47.036
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.091
local terms energy: -63.298266
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -108.227371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.227371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.227371 (E_RNA)
where:
Base-Base interactions energy: -48.901
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.055
local terms energy: -59.270811
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -96.675985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675985 (E_RNA)
where:
Base-Base interactions energy: -50.563
where: short stacking energy: -39.275
Base-Backbone interact. energy: -0.027
local terms energy: -46.085990
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -6.594
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: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -95.201458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.201458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.201458 (E_RNA)
where:
Base-Base interactions energy: -52.036
where: short stacking energy: -24.177
Base-Backbone interact. energy: 0.623
local terms energy: -43.787903
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: 1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -83.646219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.646219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.646219 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.469
local terms energy: -44.067079
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -91.058710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.058710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.058710 (E_RNA)
where:
Base-Base interactions energy: -43.560
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.370
local terms energy: -47.129263
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -5.096
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -73.662243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.662243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.662243 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -17.967
Base-Backbone interact. energy: -0.240
local terms energy: -42.132531
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: 2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -191.122532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.122532 (E_RNA)
where:
Base-Base interactions energy: -121.614
where: short stacking energy: -67.178
Base-Backbone interact. energy: -0.003
local terms energy: -69.505024
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -199.966153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.966153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.966153 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.003
local terms energy: -78.920145
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -22.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -163.269899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269899 (E_RNA)
where:
Base-Base interactions energy: -93.378
where: short stacking energy: -51.770
Base-Backbone interact. energy: 0.021
local terms energy: -69.912497
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -111.618379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.618379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.618379 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -46.214
Base-Backbone interact. energy: -0.110
local terms energy: -63.600159
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -83.017616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017616 (E_RNA)
where:
Base-Base interactions energy: -26.937
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.111
local terms energy: -55.969851
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -102.126327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.126327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.126327 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.020
local terms energy: -57.052817
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -14.582
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -97.654680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.654680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.654680 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -39.006
Base-Backbone interact. energy: -0.459
local terms energy: -54.548259
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -82.701170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.701170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.701170 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.199
local terms energy: -48.442901
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -88.203811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.203811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.203811 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.465
local terms energy: -50.494387
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -86.257671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257671 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.192
local terms energy: -48.104468
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -199.947252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.947252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.947252 (E_RNA)
where:
Base-Base interactions energy: -119.071
where: short stacking energy: -61.843
Base-Backbone interact. energy: -0.110
local terms energy: -80.766440
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -198.820894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820894 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -77.622
Base-Backbone interact. energy: -0.007
local terms energy: -78.900109
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -119.924754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.924754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.924754 (E_RNA)
where:
Base-Base interactions energy: -63.766
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.126
local terms energy: -56.033218
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.714
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: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -114.135301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.135301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.135301 (E_RNA)
where:
Base-Base interactions energy: -53.613
where: short stacking energy: -34.174
Base-Backbone interact. energy: 0.644
local terms energy: -61.166334
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.749
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: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -131.951267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.951267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.951267 (E_RNA)
where:
Base-Base interactions energy: -76.036
where: short stacking energy: -43.902
Base-Backbone interact. energy: 1.021
local terms energy: -56.936440
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -7.952
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: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -97.358818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.358818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.358818 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -31.789
Base-Backbone interact. energy: -0.184
local terms energy: -65.347088
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -4.159
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -100.539355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539355 (E_RNA)
where:
Base-Base interactions energy: -41.766
where: short stacking energy: -27.394
Base-Backbone interact. energy: 0.016
local terms energy: -58.788941
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.038
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: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -79.589944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589944 (E_RNA)
where:
Base-Base interactions energy: -23.278
where: short stacking energy: -22.716
Base-Backbone interact. energy: -0.056
local terms energy: -56.256082
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -5.614
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: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -82.205086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.205086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.205086 (E_RNA)
where:
Base-Base interactions energy: -28.833
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.103
local terms energy: -53.268655
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.479465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.479465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.479465 (E_RNA)
where:
Base-Base interactions energy: -23.608
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.082
local terms energy: -53.789373
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.063
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -193.963173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.963173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963173 (E_RNA)
where:
Base-Base interactions energy: -114.099
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.386
local terms energy: -79.478022
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -12.586
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: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -196.419206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.419206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.419206 (E_RNA)
where:
Base-Base interactions energy: -121.623
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.003
local terms energy: -74.793467
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -127.199912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.199912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.199912 (E_RNA)
where:
Base-Base interactions energy: -67.380
where: short stacking energy: -58.802
Base-Backbone interact. energy: 1.494
local terms energy: -61.313556
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -128.481755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.481755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.481755 (E_RNA)
where:
Base-Base interactions energy: -71.520
where: short stacking energy: -39.935
Base-Backbone interact. energy: -0.074
local terms energy: -56.887534
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -97.836943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836943 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -34.429
Base-Backbone interact. energy: -0.040
local terms energy: -59.109030
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.332
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: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -95.469083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.469083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.469083 (E_RNA)
where:
Base-Base interactions energy: -46.068
where: short stacking energy: -46.068
Base-Backbone interact. energy: 1.328
local terms energy: -50.729103
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -93.880202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880202 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -31.146
Base-Backbone interact. energy: 2.630
local terms energy: -57.072953
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -94.643674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.643674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.643674 (E_RNA)
where:
Base-Base interactions energy: -46.384
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.104
local terms energy: -48.155533
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -2.881
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: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -77.214422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.214422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.214422 (E_RNA)
where:
Base-Base interactions energy: -32.086
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.046
local terms energy: -45.082516
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -87.724118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.724118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.724118 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -34.584
Base-Backbone interact. energy: -0.026
local terms energy: -50.535620
where:
bonds (distance) C4'-P energy: -4.429
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -186.194845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.194845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.194845 (E_RNA)
where:
Base-Base interactions energy: -112.807
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.007
local terms energy: -73.381051
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -193.509968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.509968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.509968 (E_RNA)
where:
Base-Base interactions energy: -112.878
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.506
local terms energy: -80.126347
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -20.442
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -124.345542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.345542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.345542 (E_RNA)
where:
Base-Base interactions energy: -55.172
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.000
local terms energy: -69.173755
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -113.969201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.969201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.969201 (E_RNA)
where:
Base-Base interactions energy: -53.722
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.004
local terms energy: -60.243902
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -1.747
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -18.501
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: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -127.034332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.034332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.034332 (E_RNA)
where:
Base-Base interactions energy: -60.236
where: short stacking energy: -45.763
Base-Backbone interact. energy: -1.003
local terms energy: -65.795171
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.601
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -98.903030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.903030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.903030 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.030
local terms energy: -60.076441
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -95.442813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.442813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.442813 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -39.812
Base-Backbone interact. energy: -0.118
local terms energy: -49.594797
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -3.456
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: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -85.287586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.287586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.287586 (E_RNA)
where:
Base-Base interactions energy: -34.956
where: short stacking energy: -34.956
Base-Backbone interact. energy: -0.183
local terms energy: -50.148863
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -7.021
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: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -79.387446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.387446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.387446 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.001
local terms energy: -49.739780
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -87.309576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.309576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.309576 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -21.329
Base-Backbone interact. energy: 0.373
local terms energy: -44.658947
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -0.304
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: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -203.092498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.092498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.092498 (E_RNA)
where:
Base-Base interactions energy: -121.078
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.654
local terms energy: -81.360443
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -194.561388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.561388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.561388 (E_RNA)
where:
Base-Base interactions energy: -113.155
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.101
local terms energy: -81.305766
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -129.818458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.818458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.818458 (E_RNA)
where:
Base-Base interactions energy: -69.416
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.067
local terms energy: -60.335916
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -115.668753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.668753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.668753 (E_RNA)
where:
Base-Base interactions energy: -57.637
where: short stacking energy: -39.496
Base-Backbone interact. energy: -0.112
local terms energy: -57.919761
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -5.176
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: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -106.518616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.518616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.518616 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.704
local terms energy: -60.307762
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -101.513890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.513890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.513890 (E_RNA)
where:
Base-Base interactions energy: -44.743
where: short stacking energy: -44.743
Base-Backbone interact. energy: 1.746
local terms energy: -58.517205
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -86.378669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.378669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.378669 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.029
local terms energy: -53.730565
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -9.907
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: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -97.235911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.235911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.235911 (E_RNA)
where:
Base-Base interactions energy: -44.102
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.104
local terms energy: -53.030074
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -77.229549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229549 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -25.437
Base-Backbone interact. energy: -0.156
local terms energy: -44.484088
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -84.697099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.697099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.697099 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -23.828
Base-Backbone interact. energy: 0.724
local terms energy: -47.934738
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -200.713230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.713230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.713230 (E_RNA)
where:
Base-Base interactions energy: -122.291
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.469
local terms energy: -77.952833
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -184.391036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.391036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.391036 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -65.146
Base-Backbone interact. energy: -0.002
local terms energy: -73.115418
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -12.550
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: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -144.181711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.181711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.181711 (E_RNA)
where:
Base-Base interactions energy: -80.750
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.742
local terms energy: -62.689762
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.203
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: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -100.564193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.564193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.564193 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -39.095
Base-Backbone interact. energy: -0.008
local terms energy: -56.902350
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -114.901157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.901157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.901157 (E_RNA)
where:
Base-Base interactions energy: -63.858
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.331
local terms energy: -50.711936
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -102.088139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.088139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.088139 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -41.334
Base-Backbone interact. energy: 0.147
local terms energy: -51.303299
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -6.976
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -95.971366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971366 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -32.598
Base-Backbone interact. energy: 0.138
local terms energy: -51.344539
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -96.128757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128757 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.363
local terms energy: -46.156496
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -85.370758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370758 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -25.442
Base-Backbone interact. energy: 1.512
local terms energy: -47.768069
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -77.999976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999976 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -18.621
Base-Backbone interact. energy: 0.521
local terms energy: -51.120855
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 1.031
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: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -193.696493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.696493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.696493 (E_RNA)
where:
Base-Base interactions energy: -115.640
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.133
local terms energy: -77.923213
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -187.565813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565813 (E_RNA)
where:
Base-Base interactions energy: -112.139
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.014
local terms energy: -75.412146
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -130.748552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.748552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.748552 (E_RNA)
where:
Base-Base interactions energy: -66.423
where: short stacking energy: -43.726
Base-Backbone interact. energy: -0.860
local terms energy: -63.465249
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -111.648860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.648860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.648860 (E_RNA)
where:
Base-Base interactions energy: -59.187
where: short stacking energy: -43.013
Base-Backbone interact. energy: -0.923
local terms energy: -51.538521
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -105.284673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.284673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.284673 (E_RNA)
where:
Base-Base interactions energy: -50.425
where: short stacking energy: -49.949
Base-Backbone interact. energy: 0.551
local terms energy: -55.410770
where:
bonds (distance) C4'-P energy: -4.548
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -111.630940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.630940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.630940 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -46.760
Base-Backbone interact. energy: -0.063
local terms energy: -64.745652
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -101.606765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.606765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.606765 (E_RNA)
where:
Base-Base interactions energy: -53.867
where: short stacking energy: -37.486
Base-Backbone interact. energy: -0.180
local terms energy: -47.559306
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -82.944782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.944782 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -22.923
Base-Backbone interact. energy: -0.138
local terms energy: -42.176164
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -94.921258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921258 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.101
local terms energy: -44.347903
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -74.476865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.476865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.476865 (E_RNA)
where:
Base-Base interactions energy: -26.978
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.139
local terms energy: -47.359551
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -1.294
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: 386
Temperature: 0.900000
Total energy: -196.601719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.601719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.601719 (E_RNA)
where:
Base-Base interactions energy: -116.362
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.441
local terms energy: -79.799260
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -186.236736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.236736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.236736 (E_RNA)
where:
Base-Base interactions energy: -108.824
where: short stacking energy: -59.815
Base-Backbone interact. energy: -2.369
local terms energy: -75.044130
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -119.893392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.893392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.893392 (E_RNA)
where:
Base-Base interactions energy: -54.111
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.059
local terms energy: -65.723218
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.676
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: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -114.868238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.868238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.868238 (E_RNA)
where:
Base-Base interactions energy: -53.687
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.545
local terms energy: -60.636655
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -10.877
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -102.812765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.812765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.812765 (E_RNA)
where:
Base-Base interactions energy: -40.532
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.128
local terms energy: -62.152625
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -93.939251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.939251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.939251 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -32.776
Base-Backbone interact. energy: -0.063
local terms energy: -61.099825
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -97.173439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.173439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.173439 (E_RNA)
where:
Base-Base interactions energy: -44.923
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.485
local terms energy: -51.764901
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -95.554087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.554087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.554087 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.129
local terms energy: -59.867954
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -83.904016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.904016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.904016 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -25.322
Base-Backbone interact. energy: -0.037
local terms energy: -44.170547
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -69.119357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.119357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.119357 (E_RNA)
where:
Base-Base interactions energy: -24.964
where: short stacking energy: -21.928
Base-Backbone interact. energy: -0.190
local terms energy: -43.965011
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -200.177017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.177017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.177017 (E_RNA)
where:
Base-Base interactions energy: -115.604
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.009
local terms energy: -84.564073
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -189.340725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.340725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.340725 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.002
local terms energy: -76.700473
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -132.580779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.580779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.580779 (E_RNA)
where:
Base-Base interactions energy: -77.598
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.408
local terms energy: -54.574847
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.646
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: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -111.134897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.134897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.134897 (E_RNA)
where:
Base-Base interactions energy: -56.009
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.026
local terms energy: -55.099091
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -9.000
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: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -107.025969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.025969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.025969 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.002
local terms energy: -59.063961
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -92.656599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656599 (E_RNA)
where:
Base-Base interactions energy: -35.981
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.213
local terms energy: -56.462758
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -91.541127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.541127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.541127 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.616
local terms energy: -49.184692
where:
bonds (distance) C4'-P energy: -8.096
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -85.290317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.290317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.290317 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.025
local terms energy: -47.846077
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -0.780
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: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -85.695790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695790 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -33.748
Base-Backbone interact. energy: -0.273
local terms energy: -47.762841
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -74.398323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.398323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.398323 (E_RNA)
where:
Base-Base interactions energy: -25.079
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.150
local terms energy: -49.169297
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -195.984733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.984733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.984733 (E_RNA)
where:
Base-Base interactions energy: -118.604
where: short stacking energy: -69.830
Base-Backbone interact. energy: 0.387
local terms energy: -77.768390
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -191.941107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941107 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.116
local terms energy: -74.804581
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -107.839209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839209 (E_RNA)
where:
Base-Base interactions energy: -41.545
where: short stacking energy: -41.545
Base-Backbone interact. energy: -0.374
local terms energy: -65.920658
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -10.392
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -132.249482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.249482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.249482 (E_RNA)
where:
Base-Base interactions energy: -64.663
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.065
local terms energy: -67.522130
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -96.197688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.197688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.197688 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.133
local terms energy: -50.379382
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -7.264
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -90.551846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551846 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.161
local terms energy: -54.195287
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.229
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: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -91.447843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.447843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.447843 (E_RNA)
where:
Base-Base interactions energy: -35.538
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.066
local terms energy: -55.844069
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -9.806
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -78.953519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.953519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.953519 (E_RNA)
where:
Base-Base interactions energy: -28.880
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.306
local terms energy: -49.767722
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -84.777797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777797 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -26.601
Base-Backbone interact. energy: -1.632
local terms energy: -50.083448
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -72.456171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.456171 (E_RNA)
where:
Base-Base interactions energy: -23.223
where: short stacking energy: -23.223
Base-Backbone interact. energy: -0.234
local terms energy: -48.999155
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -197.080203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.080203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.080203 (E_RNA)
where:
Base-Base interactions energy: -117.950
where: short stacking energy: -75.928
Base-Backbone interact. energy: -0.330
local terms energy: -78.800735
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -185.320986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.320986 (E_RNA)
where:
Base-Base interactions energy: -112.011
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.007
local terms energy: -73.303015
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -135.815825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.815825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.815825 (E_RNA)
where:
Base-Base interactions energy: -69.852
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.001
local terms energy: -65.962219
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -121.930714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.930714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.930714 (E_RNA)
where:
Base-Base interactions energy: -52.535
where: short stacking energy: -52.535
Base-Backbone interact. energy: -0.029
local terms energy: -69.366920
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -106.352699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.352699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.352699 (E_RNA)
where:
Base-Base interactions energy: -57.568
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.266
local terms energy: -48.519028
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -112.674322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.674322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.674322 (E_RNA)
where:
Base-Base interactions energy: -54.189
where: short stacking energy: -15.446
Base-Backbone interact. energy: -0.143
local terms energy: -58.342297
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -92.046435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046435 (E_RNA)
where:
Base-Base interactions energy: -38.539
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.161
local terms energy: -53.346145
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -2.617
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -91.016172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.016172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.016172 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.200
local terms energy: -57.621954
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -79.251462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.251462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.251462 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -30.996
Base-Backbone interact. energy: -0.195
local terms energy: -46.403216
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -75.502793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.502793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.502793 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.309
local terms energy: -46.060871
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -197.695857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.695857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.695857 (E_RNA)
where:
Base-Base interactions energy: -123.516
where: short stacking energy: -69.510
Base-Backbone interact. energy: -1.235
local terms energy: -72.944247
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -188.168825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.168825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.168825 (E_RNA)
where:
Base-Base interactions energy: -119.169
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.367
local terms energy: -68.631859
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -102.945108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945108 (E_RNA)
where:
Base-Base interactions energy: -45.362
where: short stacking energy: -45.071
Base-Backbone interact. energy: -0.102
local terms energy: -57.481067
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -10.839
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: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -108.179761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.179761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.179761 (E_RNA)
where:
Base-Base interactions energy: -43.410
where: short stacking energy: -43.659
Base-Backbone interact. energy: -1.155
local terms energy: -63.614278
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -103.861592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.861592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.861592 (E_RNA)
where:
Base-Base interactions energy: -57.853
where: short stacking energy: -25.235
Base-Backbone interact. energy: 0.271
local terms energy: -46.279853
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.825
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -103.889602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.889602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.889602 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.223
local terms energy: -59.611777
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -96.897449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897449 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -24.543
Base-Backbone interact. energy: 1.253
local terms energy: -57.562627
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -1.596
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: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -92.703752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.703752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.703752 (E_RNA)
where:
Base-Base interactions energy: -44.859
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.210
local terms energy: -47.634004
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -4.610
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: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -85.170650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.170650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.170650 (E_RNA)
where:
Base-Base interactions energy: -43.433
where: short stacking energy: -27.157
Base-Backbone interact. energy: -1.078
local terms energy: -40.659668
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -6.174
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: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.172514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.172514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.172514 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -33.580
Base-Backbone interact. energy: -0.115
local terms energy: -47.965297
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -200.198351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.198351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.198351 (E_RNA)
where:
Base-Base interactions energy: -122.932
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.144
local terms energy: -77.122678
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -21.080
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: 391
Temperature: 0.950000
Total energy: -191.478780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.478780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.478780 (E_RNA)
where:
Base-Base interactions energy: -111.313
where: short stacking energy: -68.881
Base-Backbone interact. energy: -0.003
local terms energy: -80.162723
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -118.343830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.343830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.343830 (E_RNA)
where:
Base-Base interactions energy: -54.060
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.096
local terms energy: -64.187689
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.070
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: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -101.820569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.820569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.820569 (E_RNA)
where:
Base-Base interactions energy: -50.630
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.247
local terms energy: -50.942902
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.226
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: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -105.849305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.849305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.849305 (E_RNA)
where:
Base-Base interactions energy: -47.790
where: short stacking energy: -44.882
Base-Backbone interact. energy: 0.507
local terms energy: -58.565734
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -2.867
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: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -107.630345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.630345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.630345 (E_RNA)
where:
Base-Base interactions energy: -57.855
where: short stacking energy: -38.940
Base-Backbone interact. energy: -0.086
local terms energy: -49.689319
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -88.554801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554801 (E_RNA)
where:
Base-Base interactions energy: -37.179
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.227
local terms energy: -51.148966
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -89.572841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572841 (E_RNA)
where:
Base-Base interactions energy: -32.162
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.071
local terms energy: -57.339975
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -76.215595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.215595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.215595 (E_RNA)
where:
Base-Base interactions energy: -19.364
where: short stacking energy: -15.897
Base-Backbone interact. energy: -0.197
local terms energy: -56.653752
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -7.258
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: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -85.292036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292036 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.200
local terms energy: -46.407552
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -7.932
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -4.282
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -209.281601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.281601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281601 (E_RNA)
where:
Base-Base interactions energy: -126.039
where: short stacking energy: -76.597
Base-Backbone interact. energy: -0.686
local terms energy: -82.555789
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.747
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -200.327275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.327275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.327275 (E_RNA)
where:
Base-Base interactions energy: -119.352
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.467
local terms energy: -80.508104
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -21.082
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: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -122.898527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.898527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.898527 (E_RNA)
where:
Base-Base interactions energy: -64.803
where: short stacking energy: -29.290
Base-Backbone interact. energy: 0.293
local terms energy: -58.388103
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -120.744586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.744586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.744586 (E_RNA)
where:
Base-Base interactions energy: -52.914
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.936
local terms energy: -66.894681
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -101.341171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.341171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.341171 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.032
local terms energy: -58.335247
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -104.836917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.836917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.836917 (E_RNA)
where:
Base-Base interactions energy: -49.099
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.558
local terms energy: -55.179329
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -4.703
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: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -95.355021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.355021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.355021 (E_RNA)
where:
Base-Base interactions energy: -46.924
where: short stacking energy: -27.546
Base-Backbone interact. energy: 0.384
local terms energy: -48.815870
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -86.901742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901742 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.032
local terms energy: -53.683828
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -6.409
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: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -77.480848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.480848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.480848 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -19.619
Base-Backbone interact. energy: -0.176
local terms energy: -42.660286
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: 2.941
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: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.964435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964435 (E_RNA)
where:
Base-Base interactions energy: -29.985
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.126
local terms energy: -49.853512
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.951
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: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -194.779026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.779026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.779026 (E_RNA)
where:
Base-Base interactions energy: -114.824
where: short stacking energy: -68.082
Base-Backbone interact. energy: -1.144
local terms energy: -78.810712
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -192.630841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.630841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.630841 (E_RNA)
where:
Base-Base interactions energy: -113.093
where: short stacking energy: -64.894
Base-Backbone interact. energy: 0.719
local terms energy: -80.257017
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -132.212799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.212799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.212799 (E_RNA)
where:
Base-Base interactions energy: -65.110
where: short stacking energy: -43.819
Base-Backbone interact. energy: -0.114
local terms energy: -66.988885
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.000
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: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -112.674583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.674583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.674583 (E_RNA)
where:
Base-Base interactions energy: -53.842
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.097
local terms energy: -58.735499
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -114.791545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.791545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.791545 (E_RNA)
where:
Base-Base interactions energy: -59.019
where: short stacking energy: -54.265
Base-Backbone interact. energy: -0.004
local terms energy: -55.768470
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -88.401751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401751 (E_RNA)
where:
Base-Base interactions energy: -32.534
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.069
local terms energy: -55.798526
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -83.683861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.683861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.683861 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.193
local terms energy: -48.526225
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -73.955189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.955189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.955189 (E_RNA)
where:
Base-Base interactions energy: -23.685
where: short stacking energy: -23.685
Base-Backbone interact. energy: -0.194
local terms energy: -50.075547
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: 3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -76.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.980276 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -15.833
Base-Backbone interact. energy: -0.349
local terms energy: -37.362302
where:
bonds (distance) C4'-P energy: -5.429
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -77.440903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440903 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -22.358
Base-Backbone interact. energy: 0.124
local terms energy: -49.876518
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -4.748
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: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -198.872117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.872117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.872117 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.005
local terms energy: -78.011051
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -197.039903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.039903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.039903 (E_RNA)
where:
Base-Base interactions energy: -118.720
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.013
local terms energy: -78.307555
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -20.041
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: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -122.273255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.273255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.273255 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -31.799
Base-Backbone interact. energy: -0.012
local terms energy: -61.123222
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -5.701
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -104.101734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.101734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.101734 (E_RNA)
where:
Base-Base interactions energy: -43.283
where: short stacking energy: -43.283
Base-Backbone interact. energy: -0.139
local terms energy: -60.679879
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -102.083743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.083743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.083743 (E_RNA)
where:
Base-Base interactions energy: -41.658
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.036
local terms energy: -60.389104
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -95.124492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.124492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.124492 (E_RNA)
where:
Base-Base interactions energy: -38.948
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.836
local terms energy: -55.341276
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -7.705
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: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -93.532192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532192 (E_RNA)
where:
Base-Base interactions energy: -34.239
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.600
local terms energy: -58.692705
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -79.424331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.424331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.424331 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.077
local terms energy: -50.071944
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -6.969
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: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -79.185726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.185726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.185726 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.109
local terms energy: -48.033183
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -2.510
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: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -77.337668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.337668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.337668 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.143
local terms energy: -47.798958
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -203.358809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.358809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.358809 (E_RNA)
where:
Base-Base interactions energy: -128.510
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.002
local terms energy: -74.847174
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -192.826648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826648 (E_RNA)
where:
Base-Base interactions energy: -118.716
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.087
local terms energy: -74.023920
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -117.994097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.994097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.994097 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.079
local terms energy: -60.571377
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -11.862
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: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -119.921335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.921335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.921335 (E_RNA)
where:
Base-Base interactions energy: -54.068
where: short stacking energy: -39.738
Base-Backbone interact. energy: -0.019
local terms energy: -65.833526
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -10.319
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: 395
Temperature: 1.100000
Total energy: -106.918357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.918357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.918357 (E_RNA)
where:
Base-Base interactions energy: -52.916
where: short stacking energy: -47.521
Base-Backbone interact. energy: 0.308
local terms energy: -54.309852
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -114.955629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.955629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.955629 (E_RNA)
where:
Base-Base interactions energy: -50.018
where: short stacking energy: -48.424
Base-Backbone interact. energy: -0.184
local terms energy: -64.754164
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -107.805171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.805171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.805171 (E_RNA)
where:
Base-Base interactions energy: -44.272
where: short stacking energy: -44.166
Base-Backbone interact. energy: -0.399
local terms energy: -63.134223
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -87.731729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731729 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.966
local terms energy: -54.258514
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.335
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: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -77.399124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399124 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -18.437
Base-Backbone interact. energy: -0.589
local terms energy: -45.431930
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.567
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: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.226347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226347 (E_RNA)
where:
Base-Base interactions energy: -23.335
where: short stacking energy: -19.906
Base-Backbone interact. energy: -0.065
local terms energy: -52.825955
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -200.790486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.790486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.790486 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.000
local terms energy: -74.193951
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -193.897608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.897608 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.919
local terms energy: -74.358073
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -114.583370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.583370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.583370 (E_RNA)
where:
Base-Base interactions energy: -49.400
where: short stacking energy: -49.400
Base-Backbone interact. energy: -0.007
local terms energy: -65.175778
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -10.829
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: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -125.657250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.657250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.657250 (E_RNA)
where:
Base-Base interactions energy: -66.229
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.280
local terms energy: -59.148078
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -98.385195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385195 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.003
local terms energy: -64.571399
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -95.836823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.836823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.836823 (E_RNA)
where:
Base-Base interactions energy: -36.411
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.077
local terms energy: -59.349097
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -108.488556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.488556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.488556 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -45.140
Base-Backbone interact. energy: -0.009
local terms energy: -59.546077
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -78.568514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568514 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -26.168
Base-Backbone interact. energy: -0.702
local terms energy: -48.058758
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -4.709
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: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -73.099241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.099241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.099241 (E_RNA)
where:
Base-Base interactions energy: -18.212
where: short stacking energy: -10.900
Base-Backbone interact. energy: 0.334
local terms energy: -55.220941
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: 1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -70.106781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.106781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.106781 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -26.444
Base-Backbone interact. energy: -0.098
local terms energy: -39.345069
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -209.294514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.294514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.294514 (E_RNA)
where:
Base-Base interactions energy: -133.484
where: short stacking energy: -55.491
Base-Backbone interact. energy: -0.104
local terms energy: -75.705838
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -186.342482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.342482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.342482 (E_RNA)
where:
Base-Base interactions energy: -115.158
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.528
local terms energy: -70.656457
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -112.261207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.261207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.261207 (E_RNA)
where:
Base-Base interactions energy: -53.127
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.095
local terms energy: -59.039086
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -117.362104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.362104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.362104 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -49.629
Base-Backbone interact. energy: -0.053
local terms energy: -62.172746
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -12.122
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: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -130.148169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.148169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.148169 (E_RNA)
where:
Base-Base interactions energy: -72.389
where: short stacking energy: -38.882
Base-Backbone interact. energy: 0.411
local terms energy: -58.169443
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.918
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: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -95.942416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.942416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.942416 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -33.087
Base-Backbone interact. energy: -0.539
local terms energy: -54.918135
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -102.426771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.426771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.426771 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.116
local terms energy: -63.982175
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -81.084268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.084268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.084268 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -26.235
Base-Backbone interact. energy: -0.521
local terms energy: -53.941860
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -4.701
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -11.715
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -75.886365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.886365 (E_RNA)
where:
Base-Base interactions energy: -30.179
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.201
local terms energy: -45.506398
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -8.319
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: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -80.798270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.798270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.798270 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -27.564
Base-Backbone interact. energy: -0.117
local terms energy: -44.791550
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -198.527923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.527923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.527923 (E_RNA)
where:
Base-Base interactions energy: -124.389
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.000
local terms energy: -74.139066
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -178.919977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.919977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.919977 (E_RNA)
where:
Base-Base interactions energy: -109.529
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.035
local terms energy: -69.355822
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -22.405
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -141.983361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.983361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.983361 (E_RNA)
where:
Base-Base interactions energy: -75.554
where: short stacking energy: -43.230
Base-Backbone interact. energy: -0.242
local terms energy: -66.187706
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -10.888
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: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -121.626012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.626012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.626012 (E_RNA)
where:
Base-Base interactions energy: -57.683
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.000
local terms energy: -63.942723
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -115.442444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.442444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.442444 (E_RNA)
where:
Base-Base interactions energy: -54.596
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.086
local terms energy: -60.760718
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -9.176
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -119.553173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.553173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.553173 (E_RNA)
where:
Base-Base interactions energy: -62.936
where: short stacking energy: -40.586
Base-Backbone interact. energy: -0.295
local terms energy: -56.321605
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -101.682731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.682731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.682731 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.049
local terms energy: -55.821748
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -78.253729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253729 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.154
Base-Backbone interact. energy: -0.067
local terms energy: -52.503317
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -6.823
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -76.268638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.268638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.268638 (E_RNA)
where:
Base-Base interactions energy: -29.079
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.062
local terms energy: -47.127712
where:
bonds (distance) C4'-P energy: -4.960
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.660
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: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -67.241964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.241964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.241964 (E_RNA)
where:
Base-Base interactions energy: -22.885
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.285
local terms energy: -44.071805
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -2.276
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -204.306629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.306629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.306629 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.098
local terms energy: -75.430693
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -195.709752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.709752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709752 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -70.402
Base-Backbone interact. energy: -1.042
local terms energy: -79.510966
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -124.124347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.124347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.124347 (E_RNA)
where:
Base-Base interactions energy: -69.349
where: short stacking energy: -45.461
Base-Backbone interact. energy: -0.370
local terms energy: -54.405250
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.434
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: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -122.627920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.627920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.627920 (E_RNA)
where:
Base-Base interactions energy: -53.321
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.210
local terms energy: -69.096611
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -111.768326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.768326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.768326 (E_RNA)
where:
Base-Base interactions energy: -55.605
where: short stacking energy: -55.123
Base-Backbone interact. energy: -0.100
local terms energy: -56.062989
where:
bonds (distance) C4'-P energy: -4.887
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -11.166
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: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -108.172105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.172105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.172105 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.029
local terms energy: -63.145523
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -89.236452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.236452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.236452 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -31.801
Base-Backbone interact. energy: -0.086
local terms energy: -54.071011
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -10.931
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: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -83.811865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.811865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.811865 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.308
local terms energy: -54.036780
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.118
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: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -95.712663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712663 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.146
local terms energy: -56.046042
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -80.110664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110664 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -34.761
Base-Backbone interact. energy: -0.173
local terms energy: -43.117119
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -202.031487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.031487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.031487 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.557
local terms energy: -75.817906
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -186.251543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.251543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.251543 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.393
local terms energy: -67.875256
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -110.315182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.315182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.315182 (E_RNA)
where:
Base-Base interactions energy: -50.767
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.818
local terms energy: -58.730732
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -3.928
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: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -137.074568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.074568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.074568 (E_RNA)
where:
Base-Base interactions energy: -78.483
where: short stacking energy: -39.130
Base-Backbone interact. energy: -0.367
local terms energy: -58.224272
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -103.550203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.550203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.550203 (E_RNA)
where:
Base-Base interactions energy: -48.247
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.197
local terms energy: -55.106355
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -9.459
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -9.450
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: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -92.683197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.683197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.683197 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.087
local terms energy: -58.092224
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -91.722337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.722337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.722337 (E_RNA)
where:
Base-Base interactions energy: -42.894
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.011
local terms energy: -48.817764
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -89.452950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452950 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -33.280
Base-Backbone interact. energy: -0.714
local terms energy: -54.218823
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -7.825
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -74.335138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.335138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.335138 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.126
local terms energy: -45.651638
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -86.243944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243944 (E_RNA)
where:
Base-Base interactions energy: -41.793
where: short stacking energy: -24.328
Base-Backbone interact. energy: 0.964
local terms energy: -45.414442
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -206.815537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.815537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.815537 (E_RNA)
where:
Base-Base interactions energy: -127.272
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.130
local terms energy: -79.414282
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -172.422055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.422055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.422055 (E_RNA)
where:
Base-Base interactions energy: -102.522
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.010
local terms energy: -69.889824
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -126.530465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.530465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.530465 (E_RNA)
where:
Base-Base interactions energy: -52.826
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.001
local terms energy: -73.703576
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -13.941
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: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -113.715321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.715321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.715321 (E_RNA)
where:
Base-Base interactions energy: -52.951
where: short stacking energy: -44.521
Base-Backbone interact. energy: 0.047
local terms energy: -60.811729
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.375
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: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -119.705441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.705441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.705441 (E_RNA)
where:
Base-Base interactions energy: -56.930
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.039
local terms energy: -62.736498
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -118.267047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.267047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.267047 (E_RNA)
where:
Base-Base interactions energy: -58.718
where: short stacking energy: -36.132
Base-Backbone interact. energy: -0.079
local terms energy: -59.470076
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -8.767
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: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -96.458124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.458124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.458124 (E_RNA)
where:
Base-Base interactions energy: -43.248
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.067
local terms energy: -53.143411
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -84.675110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675110 (E_RNA)
where:
Base-Base interactions energy: -38.300
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.237
local terms energy: -46.137503
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -7.288
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.044
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: 401
Temperature: 1.300000
Total energy: -79.627042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627042 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -26.913
Base-Backbone interact. energy: -0.255
local terms energy: -45.149376
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -0.084
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: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -86.315497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315497 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.261
local terms energy: -51.201533
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -174.680429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.680429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.680429 (E_RNA)
where:
Base-Base interactions energy: -102.602
where: short stacking energy: -60.133
Base-Backbone interact. energy: 0.047
local terms energy: -72.125655
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -16.938
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: 402
Temperature: 0.950000
Total energy: -192.956659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.956659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.956659 (E_RNA)
where:
Base-Base interactions energy: -114.444
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.138
local terms energy: -78.373825
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -104.874320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.874320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.874320 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.038
local terms energy: -53.770141
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -112.132590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.132590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.132590 (E_RNA)
where:
Base-Base interactions energy: -53.338
where: short stacking energy: -50.798
Base-Backbone interact. energy: -0.105
local terms energy: -58.690131
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -115.682531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.682531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.682531 (E_RNA)
where:
Base-Base interactions energy: -57.946
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.037
local terms energy: -57.699382
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -6.772
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: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -101.453333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.453333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.453333 (E_RNA)
where:
Base-Base interactions energy: -56.531
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.012
local terms energy: -44.910716
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -93.220869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.220869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.220869 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -37.846
Base-Backbone interact. energy: -0.951
local terms energy: -53.043348
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -89.273420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273420 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.088
local terms energy: -56.235720
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -78.474326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.474326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.474326 (E_RNA)
where:
Base-Base interactions energy: -38.060
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.108
local terms energy: -40.306300
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -3.795
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: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -71.522835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.522835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.522835 (E_RNA)
where:
Base-Base interactions energy: -25.931
where: short stacking energy: -22.840
Base-Backbone interact. energy: -0.094
local terms energy: -45.498417
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.324
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: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -191.246091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.246091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.246091 (E_RNA)
where:
Base-Base interactions energy: -118.705
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.001
local terms energy: -72.540350
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -198.941452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.941452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.941452 (E_RNA)
where:
Base-Base interactions energy: -117.401
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.024
local terms energy: -81.516622
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -108.308286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.308286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.308286 (E_RNA)
where:
Base-Base interactions energy: -49.782
where: short stacking energy: -31.681
Base-Backbone interact. energy: -0.093
local terms energy: -58.433156
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -110.282229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.282229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.282229 (E_RNA)
where:
Base-Base interactions energy: -48.625
where: short stacking energy: -47.432
Base-Backbone interact. energy: -0.001
local terms energy: -61.656344
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -10.087
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: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -112.936500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.936500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.936500 (E_RNA)
where:
Base-Base interactions energy: -45.915
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.043
local terms energy: -66.978865
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.463
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: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -109.749613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.749613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.749613 (E_RNA)
where:
Base-Base interactions energy: -54.366
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.171
local terms energy: -55.212915
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -87.467786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467786 (E_RNA)
where:
Base-Base interactions energy: -33.568
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.190
local terms energy: -53.709489
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -77.265811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.265811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.265811 (E_RNA)
where:
Base-Base interactions energy: -34.997
where: short stacking energy: -29.591
Base-Backbone interact. energy: -0.398
local terms energy: -41.871663
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -85.067930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067930 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -31.521
Base-Backbone interact. energy: 0.688
local terms energy: -52.991255
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -70.872044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.872044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.872044 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -13.445
Base-Backbone interact. energy: -0.133
local terms energy: -49.189561
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -12.690
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: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -209.539763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.539763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.539763 (E_RNA)
where:
Base-Base interactions energy: -127.090
where: short stacking energy: -78.699
Base-Backbone interact. energy: -0.007
local terms energy: -82.442393
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -188.927387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.927387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927387 (E_RNA)
where:
Base-Base interactions energy: -110.848
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.032
local terms energy: -78.047588
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -119.936663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.936663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.936663 (E_RNA)
where:
Base-Base interactions energy: -64.411
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.072
local terms energy: -55.454546
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -115.306511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.306511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.306511 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.035
local terms energy: -66.258491
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -12.804
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -103.522398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.522398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.522398 (E_RNA)
where:
Base-Base interactions energy: -49.056
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.008
local terms energy: -54.459233
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -89.826796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.826796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.826796 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.088
local terms energy: -51.438141
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -10.630
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -89.930832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.930832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.930832 (E_RNA)
where:
Base-Base interactions energy: -30.136
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.028
local terms energy: -59.766820
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.634
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: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -95.694538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.694538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.694538 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.140
local terms energy: -48.570530
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -1.304
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -89.451174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.451174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.451174 (E_RNA)
where:
Base-Base interactions energy: -37.902
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.015
local terms energy: -51.533762
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -8.378
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.512
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -79.023389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023389 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -28.059
Base-Backbone interact. energy: -0.311
local terms energy: -50.653378
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.565
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: 405
Temperature: 0.900000
Total energy: -190.429804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.429804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.429804 (E_RNA)
where:
Base-Base interactions energy: -114.234
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.066
local terms energy: -76.129074
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -191.647302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647302 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -68.830
Base-Backbone interact. energy: -0.005
local terms energy: -80.118533
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -128.699999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.699999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.699999 (E_RNA)
where:
Base-Base interactions energy: -67.866
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.545
local terms energy: -60.289712
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -10.371
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: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -106.873937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.873937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.873937 (E_RNA)
where:
Base-Base interactions energy: -50.637
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.173
local terms energy: -56.064496
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -126.830191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.830191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.830191 (E_RNA)
where:
Base-Base interactions energy: -62.398
where: short stacking energy: -26.752
Base-Backbone interact. energy: -1.341
local terms energy: -63.092152
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -111.669920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.669920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.669920 (E_RNA)
where:
Base-Base interactions energy: -59.386
where: short stacking energy: -40.317
Base-Backbone interact. energy: 3.082
local terms energy: -55.366579
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -96.360776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.360776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.360776 (E_RNA)
where:
Base-Base interactions energy: -43.484
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.002
local terms energy: -52.874374
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -87.544621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544621 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.136
local terms energy: -49.107006
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -80.620436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.620436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.620436 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -20.283
Base-Backbone interact. energy: -0.041
local terms energy: -48.605750
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -75.119156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.119156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.119156 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -18.350
Base-Backbone interact. energy: -0.568
local terms energy: -40.447983
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -3.518
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: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -201.953957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.953957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.953957 (E_RNA)
where:
Base-Base interactions energy: -124.070
where: short stacking energy: -72.986
Base-Backbone interact. energy: -0.152
local terms energy: -77.732083
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -18.480
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -190.827715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827715 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.043
local terms energy: -73.990836
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -108.515987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.515987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.515987 (E_RNA)
where:
Base-Base interactions energy: -47.108
where: short stacking energy: -44.512
Base-Backbone interact. energy: -0.077
local terms energy: -61.330499
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -121.394325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.394325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.394325 (E_RNA)
where:
Base-Base interactions energy: -57.129
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.467
local terms energy: -63.798291
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -148.290966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.290966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.290966 (E_RNA)
where:
Base-Base interactions energy: -90.026
where: short stacking energy: -50.817
Base-Backbone interact. energy: -0.135
local terms energy: -58.130176
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -112.671976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.671976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.671976 (E_RNA)
where:
Base-Base interactions energy: -55.699
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.087
local terms energy: -56.886083
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -92.270420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270420 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -20.807
Base-Backbone interact. energy: -0.260
local terms energy: -57.454649
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -78.092883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.092883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.092883 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -24.417
Base-Backbone interact. energy: -0.176
local terms energy: -53.499888
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -7.970
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -89.165302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.165302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.165302 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.959
local terms energy: -48.720290
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -71.052995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.052995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.052995 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -17.117
Base-Backbone interact. energy: -0.036
local terms energy: -41.817597
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.745
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: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -208.971373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.971373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.971373 (E_RNA)
where:
Base-Base interactions energy: -126.813
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.902
local terms energy: -81.255594
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -196.530422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.530422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.530422 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.125
local terms energy: -66.615490
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -107.326303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.326303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.326303 (E_RNA)
where:
Base-Base interactions energy: -54.130
where: short stacking energy: -24.459
Base-Backbone interact. energy: -0.589
local terms energy: -52.606620
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -7.556
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: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -112.912847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.912847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.912847 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -37.115
Base-Backbone interact. energy: -0.083
local terms energy: -57.311794
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -111.852558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.852558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.852558 (E_RNA)
where:
Base-Base interactions energy: -54.615
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.134
local terms energy: -57.103322
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -12.695
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: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -90.244963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.244963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.244963 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.271
local terms energy: -55.862473
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -91.394027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394027 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -30.518
Base-Backbone interact. energy: -0.057
local terms energy: -48.457401
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -102.270765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.270765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.270765 (E_RNA)
where:
Base-Base interactions energy: -44.641
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.009
local terms energy: -57.621461
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -80.001397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.001397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.001397 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.095
local terms energy: -46.753863
where:
bonds (distance) C4'-P energy: -6.338
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -75.715645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.715645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.715645 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -23.426
Base-Backbone interact. energy: -1.422
local terms energy: -47.369367
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -199.650637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.650637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.650637 (E_RNA)
where:
Base-Base interactions energy: -125.517
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.196
local terms energy: -73.937558
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -192.216782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.216782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216782 (E_RNA)
where:
Base-Base interactions energy: -117.868
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.331
local terms energy: -74.017871
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -18.262
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: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -124.305741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.305741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.305741 (E_RNA)
where:
Base-Base interactions energy: -60.615
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.067
local terms energy: -63.623519
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -9.905
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: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -113.080223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.080223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.080223 (E_RNA)
where:
Base-Base interactions energy: -54.126
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.622
local terms energy: -58.332082
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -8.336
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: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -91.486432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486432 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.181
local terms energy: -56.053167
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -97.631344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631344 (E_RNA)
where:
Base-Base interactions energy: -42.215
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.844
local terms energy: -54.573093
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -95.976760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976760 (E_RNA)
where:
Base-Base interactions energy: -43.433
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.132
local terms energy: -52.411052
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -6.730
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -118.028069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.028069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.028069 (E_RNA)
where:
Base-Base interactions energy: -55.433
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.266
local terms energy: -62.328554
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -86.520180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520180 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -31.636
Base-Backbone interact. energy: -0.150
local terms energy: -49.090983
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -8.046
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: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -82.317401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.317401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.317401 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -23.471
Base-Backbone interact. energy: -0.377
local terms energy: -41.615458
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -206.043428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.043428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.043428 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.179
local terms energy: -74.692829
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -9.416
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: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -191.968894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.968894 (E_RNA)
where:
Base-Base interactions energy: -119.812
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.002
local terms energy: -72.155054
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -118.029583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.029583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.029583 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -48.141
Base-Backbone interact. energy: -0.018
local terms energy: -69.870415
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -113.367453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.367453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.367453 (E_RNA)
where:
Base-Base interactions energy: -50.600
where: short stacking energy: -44.292
Base-Backbone interact. energy: 0.583
local terms energy: -63.349866
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.512
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: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -112.344343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.344343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.344343 (E_RNA)
where:
Base-Base interactions energy: -60.359
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.093
local terms energy: -51.892099
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -7.697
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: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -105.478515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.478515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.478515 (E_RNA)
where:
Base-Base interactions energy: -45.152
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.261
local terms energy: -60.065793
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -87.381243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381243 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.832
local terms energy: -59.937294
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -87.432808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.432808 (E_RNA)
where:
Base-Base interactions energy: -47.459
where: short stacking energy: -33.820
Base-Backbone interact. energy: 1.319
local terms energy: -41.293100
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -7.405
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -96.894236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.894236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.894236 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -38.534
Base-Backbone interact. energy: -0.048
local terms energy: -57.312720
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.827245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827245 (E_RNA)
where:
Base-Base interactions energy: -34.692
where: short stacking energy: -34.692
Base-Backbone interact. energy: -0.028
local terms energy: -43.107048
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -4.018
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: 410
Temperature: 0.900000
Total energy: -200.086030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086030 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.001
local terms energy: -77.674145
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -196.469161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.469161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.469161 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.005
local terms energy: -78.392476
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -113.922388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.922388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.922388 (E_RNA)
where:
Base-Base interactions energy: -47.398
where: short stacking energy: -44.443
Base-Backbone interact. energy: -0.041
local terms energy: -66.483106
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -121.193888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.193888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.193888 (E_RNA)
where:
Base-Base interactions energy: -52.876
where: short stacking energy: -38.646
Base-Backbone interact. energy: -0.181
local terms energy: -68.137137
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -105.369285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.369285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.369285 (E_RNA)
where:
Base-Base interactions energy: -46.068
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.447
local terms energy: -58.854723
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -10.034
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: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -99.159819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.159819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.159819 (E_RNA)
where:
Base-Base interactions energy: -39.623
where: short stacking energy: -33.608
Base-Backbone interact. energy: -0.041
local terms energy: -59.495963
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -92.456102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.456102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.456102 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -39.063
Base-Backbone interact. energy: -0.003
local terms energy: -52.906240
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -1.688
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -105.582844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.582844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.582844 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.001
local terms energy: -61.109257
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -9.617
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: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -80.514638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514638 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.921
local terms energy: -48.944369
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -85.144988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144988 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.144
local terms energy: -43.111482
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -7.494
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -199.782030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.782030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.782030 (E_RNA)
where:
Base-Base interactions energy: -126.225
where: short stacking energy: -60.892
Base-Backbone interact. energy: -1.005
local terms energy: -72.551629
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -16.501
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: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -194.303041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.303041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.303041 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.156
local terms energy: -59.207401
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -115.606945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.606945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.606945 (E_RNA)
where:
Base-Base interactions energy: -57.353
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.039
local terms energy: -58.215308
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.050
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: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -104.365718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365718 (E_RNA)
where:
Base-Base interactions energy: -49.059
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.437
local terms energy: -54.869436
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -7.420
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: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -111.088065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.088065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.088065 (E_RNA)
where:
Base-Base interactions energy: -50.770
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.040
local terms energy: -60.277931
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.556
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: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -100.249594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.249594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.249594 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -44.045
Base-Backbone interact. energy: -0.008
local terms energy: -56.196429
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -96.477840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.477840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.477840 (E_RNA)
where:
Base-Base interactions energy: -43.446
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.047
local terms energy: -52.984971
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -97.249460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.249460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.249460 (E_RNA)
where:
Base-Base interactions energy: -50.047
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.161
local terms energy: -47.040813
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -75.043021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.043021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.043021 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.337
local terms energy: -45.187436
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -98.194446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.194446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.194446 (E_RNA)
where:
Base-Base interactions energy: -46.977
where: short stacking energy: -32.294
Base-Backbone interact. energy: -1.115
local terms energy: -50.102939
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -196.572476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.572476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.572476 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -61.102
Base-Backbone interact. energy: 0.501
local terms energy: -68.268362
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -191.929828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.929828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.929828 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.321
local terms energy: -74.138926
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -141.861412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.861412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.861412 (E_RNA)
where:
Base-Base interactions energy: -78.032
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.231
local terms energy: -63.598977
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -119.506224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.506224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.506224 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.041
local terms energy: -74.666812
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -126.553584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.553584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.553584 (E_RNA)
where:
Base-Base interactions energy: -69.801
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.022
local terms energy: -56.730634
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -93.929772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929772 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.181
local terms energy: -50.240121
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -93.941635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941635 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -35.485
Base-Backbone interact. energy: -0.020
local terms energy: -56.781928
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.052223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.052223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.052223 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.053
local terms energy: -51.852749
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -83.348804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.348804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.348804 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -27.002
Base-Backbone interact. energy: -0.153
local terms energy: -46.974657
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.343913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.343913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.343913 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.640
local terms energy: -44.278076
where:
bonds (distance) C4'-P energy: -7.073
bonds (distance) P-C4' energy: -8.271
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -7.699
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -200.246811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.246811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.246811 (E_RNA)
where:
Base-Base interactions energy: -128.772
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.386
local terms energy: -71.089009
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -193.549222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.549222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.549222 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -68.286
Base-Backbone interact. energy: -0.195
local terms energy: -73.527581
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -106.681412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.681412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.681412 (E_RNA)
where:
Base-Base interactions energy: -43.731
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.000
local terms energy: -62.949993
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -95.099072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.099072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.099072 (E_RNA)
where:
Base-Base interactions energy: -34.175
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.093
local terms energy: -60.830632
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -10.373
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: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -106.600514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600514 (E_RNA)
where:
Base-Base interactions energy: -51.223
where: short stacking energy: -51.223
Base-Backbone interact. energy: -0.093
local terms energy: -55.284851
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -9.030
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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -89.408091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.408091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.408091 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -25.018
Base-Backbone interact. energy: -0.265
local terms energy: -55.397891
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -103.159240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.159240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.159240 (E_RNA)
where:
Base-Base interactions energy: -44.299
where: short stacking energy: -44.299
Base-Backbone interact. energy: -0.020
local terms energy: -58.840183
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -79.986610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.986610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.986610 (E_RNA)
where:
Base-Base interactions energy: -29.221
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.110
local terms energy: -50.656402
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -81.857687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857687 (E_RNA)
where:
Base-Base interactions energy: -36.150
where: short stacking energy: -17.983
Base-Backbone interact. energy: -0.116
local terms energy: -45.592578
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -75.027180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027180 (E_RNA)
where:
Base-Base interactions energy: -27.951
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.468
local terms energy: -46.608901
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -196.488845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.488845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.488845 (E_RNA)
where:
Base-Base interactions energy: -124.040
where: short stacking energy: -72.584
Base-Backbone interact. energy: 1.079
local terms energy: -73.527393
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -188.437727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.437727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.437727 (E_RNA)
where:
Base-Base interactions energy: -122.427
where: short stacking energy: -57.222
Base-Backbone interact. energy: 0.092
local terms energy: -66.103402
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.607
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: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -123.366998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.366998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.366998 (E_RNA)
where:
Base-Base interactions energy: -62.712
where: short stacking energy: -49.619
Base-Backbone interact. energy: -0.724
local terms energy: -59.930925
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -107.369640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369640 (E_RNA)
where:
Base-Base interactions energy: -46.112
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.011
local terms energy: -61.246165
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -105.628829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.628829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.628829 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -43.928
Base-Backbone interact. energy: 0.670
local terms energy: -63.253599
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -12.788
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -94.944671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.944671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.944671 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -24.320
Base-Backbone interact. energy: -0.072
local terms energy: -58.083232
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -91.824629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.824629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.824629 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -34.540
Base-Backbone interact. energy: -0.235
local terms energy: -48.193848
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -4.582
flat angles P-C4'-P energy: -4.225
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -93.527766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.527766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.527766 (E_RNA)
where:
Base-Base interactions energy: -41.313
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.195
local terms energy: -52.019742
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.306
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -79.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.641248 (E_RNA)
where:
Base-Base interactions energy: -24.843
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.346
local terms energy: -54.452368
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -81.780128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780128 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -26.654
Base-Backbone interact. energy: -0.137
local terms energy: -43.027027
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -199.302693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.302693 (E_RNA)
where:
Base-Base interactions energy: -122.381
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.004
local terms energy: -76.917620
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -188.228140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.228140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.228140 (E_RNA)
where:
Base-Base interactions energy: -117.869
where: short stacking energy: -53.876
Base-Backbone interact. energy: -0.618
local terms energy: -69.741521
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -126.496109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.496109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.496109 (E_RNA)
where:
Base-Base interactions energy: -64.616
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.007
local terms energy: -61.873750
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -114.082415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.082415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.082415 (E_RNA)
where:
Base-Base interactions energy: -53.591
where: short stacking energy: -53.591
Base-Backbone interact. energy: 0.407
local terms energy: -60.898664
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -100.823539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.823539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.823539 (E_RNA)
where:
Base-Base interactions energy: -48.935
where: short stacking energy: -27.969
Base-Backbone interact. energy: -0.496
local terms energy: -51.393111
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -91.281482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.281482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.281482 (E_RNA)
where:
Base-Base interactions energy: -41.227
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.353
local terms energy: -49.701058
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -92.169781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.169781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.169781 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -41.551
Base-Backbone interact. energy: -0.059
local terms energy: -48.687872
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -86.937538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.937538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.937538 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -28.469
Base-Backbone interact. energy: -0.561
local terms energy: -52.528340
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -3.546
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: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -82.269993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.269993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.269993 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -14.484
Base-Backbone interact. energy: 0.441
local terms energy: -44.495977
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: 3.567
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -79.460815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.460815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.460815 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.803
local terms energy: -44.182747
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -195.757862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757862 (E_RNA)
where:
Base-Base interactions energy: -119.219
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.443
local terms energy: -76.095054
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -16.748
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: 416
Temperature: 0.950000
Total energy: -181.385724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.385724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.385724 (E_RNA)
where:
Base-Base interactions energy: -110.913
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.107
local terms energy: -70.365697
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -124.779908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.779908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.779908 (E_RNA)
where:
Base-Base interactions energy: -58.112
where: short stacking energy: -54.922
Base-Backbone interact. energy: -0.081
local terms energy: -66.586716
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -107.639983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.639983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.639983 (E_RNA)
where:
Base-Base interactions energy: -57.686
where: short stacking energy: -33.541
Base-Backbone interact. energy: 0.889
local terms energy: -50.842723
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -2.918
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: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -102.024825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.024825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.024825 (E_RNA)
where:
Base-Base interactions energy: -47.218
where: short stacking energy: -36.085
Base-Backbone interact. energy: 3.234
local terms energy: -58.041171
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -105.357741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357741 (E_RNA)
where:
Base-Base interactions energy: -50.296
where: short stacking energy: -35.281
Base-Backbone interact. energy: -0.905
local terms energy: -54.156303
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -6.965
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -93.097116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.097116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.097116 (E_RNA)
where:
Base-Base interactions energy: -41.610
where: short stacking energy: -26.874
Base-Backbone interact. energy: 0.274
local terms energy: -51.761265
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -0.339
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: 416
Temperature: 1.250000
Total energy: -85.016463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016463 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -15.878
Base-Backbone interact. energy: -0.202
local terms energy: -55.203147
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.405
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -81.869732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869732 (E_RNA)
where:
Base-Base interactions energy: -36.184
where: short stacking energy: -35.135
Base-Backbone interact. energy: -0.050
local terms energy: -45.635667
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -72.676220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.676220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.676220 (E_RNA)
where:
Base-Base interactions energy: -27.607
where: short stacking energy: -27.607
Base-Backbone interact. energy: 0.051
local terms energy: -45.119291
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -201.654610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.654610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.654610 (E_RNA)
where:
Base-Base interactions energy: -124.208
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.561
local terms energy: -76.886420
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -188.083047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.083047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.083047 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.616
local terms energy: -77.611299
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -18.918
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: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -112.311719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.311719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.311719 (E_RNA)
where:
Base-Base interactions energy: -54.495
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.151
local terms energy: -57.666194
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -113.216484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.216484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.216484 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -43.211
Base-Backbone interact. energy: -0.421
local terms energy: -61.243300
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -99.921691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.921691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.921691 (E_RNA)
where:
Base-Base interactions energy: -51.184
where: short stacking energy: -30.154
Base-Backbone interact. energy: 1.249
local terms energy: -49.987207
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -5.722
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -102.657157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657157 (E_RNA)
where:
Base-Base interactions energy: -47.854
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.092
local terms energy: -54.710425
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -103.078386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.078386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.078386 (E_RNA)
where:
Base-Base interactions energy: -57.097
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.036
local terms energy: -45.945281
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -6.269
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: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -89.652294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.652294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.652294 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.149
local terms energy: -51.260091
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -10.147
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -90.180968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180968 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.538
local terms energy: -49.580810
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -81.807563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807563 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -31.663
Base-Backbone interact. energy: 2.397
local terms energy: -52.541380
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -191.273712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.273712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.273712 (E_RNA)
where:
Base-Base interactions energy: -112.352
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.476
local terms energy: -78.445947
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -194.307119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.307119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.307119 (E_RNA)
where:
Base-Base interactions energy: -114.412
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.084
local terms energy: -79.811550
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -122.208413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.208413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.208413 (E_RNA)
where:
Base-Base interactions energy: -58.002
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.010
local terms energy: -64.196420
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -117.525721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.525721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.525721 (E_RNA)
where:
Base-Base interactions energy: -60.117
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.134
local terms energy: -57.274767
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -114.949946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.949946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.949946 (E_RNA)
where:
Base-Base interactions energy: -60.441
where: short stacking energy: -30.660
Base-Backbone interact. energy: 0.300
local terms energy: -54.808374
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.454
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: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -86.808980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.808980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.808980 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -28.544
Base-Backbone interact. energy: -0.016
local terms energy: -57.785510
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -98.802883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.802883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.802883 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.029
local terms energy: -54.748342
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.753
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: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -88.371732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.371732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.371732 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -29.826
Base-Backbone interact. energy: 0.000
local terms energy: -48.110753
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.583
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: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -82.042802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.042802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.042802 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -30.097
Base-Backbone interact. energy: -0.235
local terms energy: -51.711034
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -67.540009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.540009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.540009 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.284
local terms energy: -43.002635
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -204.524393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524393 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.011
local terms energy: -81.728437
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -196.559744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.559744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.559744 (E_RNA)
where:
Base-Base interactions energy: -119.831
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.077
local terms energy: -76.652134
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.775
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: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -126.890928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.890928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.890928 (E_RNA)
where:
Base-Base interactions energy: -59.602
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.018
local terms energy: -67.270822
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -137.241318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.241318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.241318 (E_RNA)
where:
Base-Base interactions energy: -71.844
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.027
local terms energy: -65.370542
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -18.252
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: 419
Temperature: 1.100000
Total energy: -119.457053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.457053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.457053 (E_RNA)
where:
Base-Base interactions energy: -55.718
where: short stacking energy: -44.258
Base-Backbone interact. energy: -0.314
local terms energy: -63.425403
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.798
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: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -93.142672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.142672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.142672 (E_RNA)
where:
Base-Base interactions energy: -39.862
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.120
local terms energy: -53.161476
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.502
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: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -88.508539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508539 (E_RNA)
where:
Base-Base interactions energy: -45.476
where: short stacking energy: -30.821
Base-Backbone interact. energy: 0.381
local terms energy: -43.413174
where:
bonds (distance) C4'-P energy: -6.600
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -87.868604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.868604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.868604 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -33.769
Base-Backbone interact. energy: -0.224
local terms energy: -53.875906
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -76.385160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385160 (E_RNA)
where:
Base-Base interactions energy: -24.296
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.120
local terms energy: -51.968591
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -85.943080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.943080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.943080 (E_RNA)
where:
Base-Base interactions energy: -25.343
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.148
local terms energy: -60.451688
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.420
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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -199.247163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.247163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247163 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.167
local terms energy: -73.004065
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -198.427944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427944 (E_RNA)
where:
Base-Base interactions energy: -119.980
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.388
local terms energy: -78.059105
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -18.999
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -132.834090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.834090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.834090 (E_RNA)
where:
Base-Base interactions energy: -67.816
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.256
local terms energy: -64.762500
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -106.352298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.352298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.352298 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -40.573
Base-Backbone interact. energy: -0.451
local terms energy: -62.822836
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -96.473781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.473781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.473781 (E_RNA)
where:
Base-Base interactions energy: -36.433
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.103
local terms energy: -59.936831
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -88.888234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888234 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.069
local terms energy: -47.928174
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.201
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -83.978646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978646 (E_RNA)
where:
Base-Base interactions energy: -31.158
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.421
local terms energy: -52.399615
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -80.492201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492201 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.373
local terms energy: -44.789209
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.772
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -74.479102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.479102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.479102 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -32.348
Base-Backbone interact. energy: -0.292
local terms energy: -41.180640
where:
bonds (distance) C4'-P energy: -4.489
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -77.216571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.216571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.216571 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -26.857
Base-Backbone interact. energy: -0.112
local terms energy: -46.978661
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.075
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: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -192.060282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.060282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.060282 (E_RNA)
where:
Base-Base interactions energy: -119.192
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.005
local terms energy: -72.863355
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -189.267085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.267085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.267085 (E_RNA)
where:
Base-Base interactions energy: -116.062
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.019
local terms energy: -73.186104
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -20.600
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: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -121.751738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.751738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.751738 (E_RNA)
where:
Base-Base interactions energy: -60.478
where: short stacking energy: -57.123
Base-Backbone interact. energy: -0.010
local terms energy: -61.263909
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.621
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: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -113.394698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.394698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.394698 (E_RNA)
where:
Base-Base interactions energy: -46.417
where: short stacking energy: -41.328
Base-Backbone interact. energy: -0.002
local terms energy: -66.976415
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -13.666
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: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -114.135319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.135319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.135319 (E_RNA)
where:
Base-Base interactions energy: -55.676
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.297
local terms energy: -58.162036
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.925
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -84.941690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.941690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.941690 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -27.731
Base-Backbone interact. energy: -0.014
local terms energy: -53.559363
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -94.575689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.575689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.575689 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -29.340
Base-Backbone interact. energy: -0.002
local terms energy: -55.816570
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -89.643972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.643972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.643972 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.149
local terms energy: -49.776089
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.297
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -87.497875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.497875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.497875 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.230
local terms energy: -54.557454
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -83.443216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443216 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.067
local terms energy: -49.786609
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -188.479216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.479216 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.568
local terms energy: -73.374365
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -15.853
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: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -185.121632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121632 (E_RNA)
where:
Base-Base interactions energy: -113.607
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.032
local terms energy: -71.482871
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -136.016790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.016790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.016790 (E_RNA)
where:
Base-Base interactions energy: -68.325
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.053
local terms energy: -67.639268
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -15.270
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: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -119.110802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.110802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.110802 (E_RNA)
where:
Base-Base interactions energy: -55.620
where: short stacking energy: -40.247
Base-Backbone interact. energy: -1.083
local terms energy: -62.407523
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.500
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: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -124.349618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.349618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.349618 (E_RNA)
where:
Base-Base interactions energy: -74.507
where: short stacking energy: -26.675
Base-Backbone interact. energy: -0.901
local terms energy: -48.941795
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -9.251
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: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -97.385341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.385341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.385341 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.010
local terms energy: -60.589326
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -11.283
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: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -89.140321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.140321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.140321 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -34.743
Base-Backbone interact. energy: 0.431
local terms energy: -52.287523
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -8.168
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -82.456952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.456952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.456952 (E_RNA)
where:
Base-Base interactions energy: -32.648
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.054
local terms energy: -49.755035
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -92.316299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.316299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.316299 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.682
local terms energy: -57.314992
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -6.660
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -90.648609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648609 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.003
local terms energy: -59.494312
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -186.019217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.019217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.019217 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.397
local terms energy: -76.074443
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -189.410593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.410593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.410593 (E_RNA)
where:
Base-Base interactions energy: -113.607
where: short stacking energy: -62.534
Base-Backbone interact. energy: 1.811
local terms energy: -77.614234
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -123.779829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.779829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.779829 (E_RNA)
where:
Base-Base interactions energy: -55.503
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.005
local terms energy: -68.271174
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -17.312
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: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -157.965709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.965709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.965709 (E_RNA)
where:
Base-Base interactions energy: -82.093
where: short stacking energy: -51.761
Base-Backbone interact. energy: -0.325
local terms energy: -75.547397
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -15.211
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: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -100.807280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807280 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.011
local terms energy: -59.310977
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -5.122
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -105.564768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.564768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.564768 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.135
local terms energy: -58.793424
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -89.288455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.288455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.288455 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -24.923
Base-Backbone interact. energy: 0.204
local terms energy: -53.095738
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -104.114421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.114421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.114421 (E_RNA)
where:
Base-Base interactions energy: -41.365
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.179
local terms energy: -62.570225
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -82.318423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.318423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.318423 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -30.878
Base-Backbone interact. energy: 0.988
local terms energy: -52.014323
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -81.588631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588631 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.117
local terms energy: -52.040639
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -185.372896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.372896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.372896 (E_RNA)
where:
Base-Base interactions energy: -110.095
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.002
local terms energy: -75.276191
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -191.633840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.633840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.633840 (E_RNA)
where:
Base-Base interactions energy: -118.282
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.027
local terms energy: -73.324810
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -172.586834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.586834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.586834 (E_RNA)
where:
Base-Base interactions energy: -103.266
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.112
local terms energy: -69.208105
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -10.249
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: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -114.579888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.579888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.579888 (E_RNA)
where:
Base-Base interactions energy: -49.431
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.458
local terms energy: -64.690407
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.416
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: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -88.207521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.207521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.207521 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -42.623
Base-Backbone interact. energy: -0.786
local terms energy: -43.745125
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -90.180797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180797 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -34.846
Base-Backbone interact. energy: -0.347
local terms energy: -54.230858
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -88.567145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567145 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.189
local terms energy: -56.349481
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -6.693
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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -81.950269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.950269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.950269 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.019
local terms energy: -43.277261
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -71.485656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.485656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.485656 (E_RNA)
where:
Base-Base interactions energy: -23.724
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.134
local terms energy: -47.627852
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -83.588235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588235 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -33.542
Base-Backbone interact. energy: -0.665
local terms energy: -48.724783
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -9.061
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -201.167261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.167261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.167261 (E_RNA)
where:
Base-Base interactions energy: -124.498
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.513
local terms energy: -76.156506
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -207.974027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.974027 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -75.433
Base-Backbone interact. energy: -0.312
local terms energy: -80.988583
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -22.012
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: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -178.269346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.269346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.269346 (E_RNA)
where:
Base-Base interactions energy: -106.540
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.097
local terms energy: -71.631900
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -112.619148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.619148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.619148 (E_RNA)
where:
Base-Base interactions energy: -53.456
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.070
local terms energy: -59.093281
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -8.954
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: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -99.310590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.310590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.310590 (E_RNA)
where:
Base-Base interactions energy: -39.214
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.167
local terms energy: -59.928953
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -99.013256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013256 (E_RNA)
where:
Base-Base interactions energy: -36.075
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.541
local terms energy: -62.397166
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.364
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -98.655485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.655485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.655485 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -35.407
Base-Backbone interact. energy: -0.097
local terms energy: -56.827533
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -79.768907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.768907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.768907 (E_RNA)
where:
Base-Base interactions energy: -28.646
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.039
local terms energy: -51.084334
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -2.698
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: 425
Temperature: 1.300000
Total energy: -71.511933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.511933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.511933 (E_RNA)
where:
Base-Base interactions energy: -25.844
where: short stacking energy: -22.099
Base-Backbone interact. energy: -0.334
local terms energy: -45.334007
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: 0.683
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: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -81.141541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141541 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.189
local terms energy: -47.414405
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -7.096
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -198.411993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.411993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.411993 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -55.017
Base-Backbone interact. energy: -1.189
local terms energy: -76.812826
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -188.516524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.516524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.516524 (E_RNA)
where:
Base-Base interactions energy: -110.400
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.104
local terms energy: -78.012137
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -121.579799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.579799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.579799 (E_RNA)
where:
Base-Base interactions energy: -55.221
where: short stacking energy: -53.662
Base-Backbone interact. energy: -0.006
local terms energy: -66.352852
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -154.174199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.174199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.174199 (E_RNA)
where:
Base-Base interactions energy: -88.666
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.027
local terms energy: -65.481287
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -97.935723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.935723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.935723 (E_RNA)
where:
Base-Base interactions energy: -50.585
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.119
local terms energy: -47.232210
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -99.782204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.782204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.782204 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.089
local terms energy: -66.843915
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -5.347
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: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -88.643450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.643450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.643450 (E_RNA)
where:
Base-Base interactions energy: -35.731
where: short stacking energy: -37.331
Base-Backbone interact. energy: -0.074
local terms energy: -52.838466
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -7.502
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: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -96.151759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.151759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.151759 (E_RNA)
where:
Base-Base interactions energy: -40.707
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.117
local terms energy: -55.328070
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -88.622697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.622697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.622697 (E_RNA)
where:
Base-Base interactions energy: -39.647
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.021
local terms energy: -48.954905
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -5.511
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -86.477081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.477081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.477081 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.122
local terms energy: -52.115493
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -10.339
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: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -203.210526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.210526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.210526 (E_RNA)
where:
Base-Base interactions energy: -127.691
where: short stacking energy: -68.341
Base-Backbone interact. energy: -2.117
local terms energy: -73.402076
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -187.030210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.030210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.030210 (E_RNA)
where:
Base-Base interactions energy: -112.620
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.015
local terms energy: -74.395330
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -136.800314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.800314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.800314 (E_RNA)
where:
Base-Base interactions energy: -65.767
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.002
local terms energy: -71.031269
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -146.143306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.143306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.143306 (E_RNA)
where:
Base-Base interactions energy: -77.476
where: short stacking energy: -42.470
Base-Backbone interact. energy: -0.005
local terms energy: -68.662381
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -12.184
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: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -112.531410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.531410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.531410 (E_RNA)
where:
Base-Base interactions energy: -53.680
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.939
local terms energy: -57.911600
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.608
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: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -96.415483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.415483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.415483 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -31.948
Base-Backbone interact. energy: -0.028
local terms energy: -53.313100
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -85.090302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090302 (E_RNA)
where:
Base-Base interactions energy: -45.722
where: short stacking energy: -28.079
Base-Backbone interact. energy: 0.260
local terms energy: -39.627910
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -6.865
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: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -86.311797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311797 (E_RNA)
where:
Base-Base interactions energy: -35.769
where: short stacking energy: -33.445
Base-Backbone interact. energy: 0.044
local terms energy: -50.586178
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -84.153081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.153081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.153081 (E_RNA)
where:
Base-Base interactions energy: -31.625
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.111
local terms energy: -52.416644
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -81.619070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619070 (E_RNA)
where:
Base-Base interactions energy: -23.986
where: short stacking energy: -22.755
Base-Backbone interact. energy: -0.262
local terms energy: -57.370624
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -202.563476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.563476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563476 (E_RNA)
where:
Base-Base interactions energy: -123.047
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.668
local terms energy: -78.848097
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -12.965
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: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -156.501373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.501373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.501373 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -49.197
Base-Backbone interact. energy: 0.074
local terms energy: -70.028837
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -10.339
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: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -138.118062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.118062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.118062 (E_RNA)
where:
Base-Base interactions energy: -78.168
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.246
local terms energy: -59.703126
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -109.979920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.979920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.979920 (E_RNA)
where:
Base-Base interactions energy: -48.150
where: short stacking energy: -48.150
Base-Backbone interact. energy: -0.374
local terms energy: -61.455725
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -110.011496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011496 (E_RNA)
where:
Base-Base interactions energy: -54.559
where: short stacking energy: -29.282
Base-Backbone interact. energy: 1.238
local terms energy: -56.689984
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -4.812
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -103.051199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.051199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.051199 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.191
local terms energy: -58.409272
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.323
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: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -89.629238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629238 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.057
local terms energy: -59.690264
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -7.447
flat angles P-C4'-P energy: -11.823
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: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -98.634477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.634477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.634477 (E_RNA)
where:
Base-Base interactions energy: -52.752
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.059
local terms energy: -45.823199
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -76.691409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.691409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.691409 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.118
local terms energy: -46.809940
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.028
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -75.188628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.188628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.188628 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -32.570
Base-Backbone interact. energy: -0.124
local terms energy: -42.494242
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -204.304155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.304155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.304155 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.003
local terms energy: -84.215255
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -164.338431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.338431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.338431 (E_RNA)
where:
Base-Base interactions energy: -101.259
where: short stacking energy: -48.581
Base-Backbone interact. energy: -0.464
local terms energy: -62.615428
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -117.488500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.488500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.488500 (E_RNA)
where:
Base-Base interactions energy: -55.364
where: short stacking energy: -44.271
Base-Backbone interact. energy: -0.204
local terms energy: -61.920070
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -109.275131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.275131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.275131 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.229
local terms energy: -61.167950
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.763
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: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -97.293136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.293136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.293136 (E_RNA)
where:
Base-Base interactions energy: -39.569
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.198
local terms energy: -57.526994
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -99.442715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.442715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.442715 (E_RNA)
where:
Base-Base interactions energy: -46.194
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.067
local terms energy: -53.181185
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -105.208687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.208687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.208687 (E_RNA)
where:
Base-Base interactions energy: -54.931
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.734
local terms energy: -49.543789
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -86.723548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.723548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.723548 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.328
local terms energy: -50.064921
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -10.886
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.446846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.446846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.446846 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -32.163
Base-Backbone interact. energy: 0.824
local terms energy: -45.915174
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -7.706
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -76.356659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.356659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.356659 (E_RNA)
where:
Base-Base interactions energy: -24.433
where: short stacking energy: -23.071
Base-Backbone interact. energy: 0.664
local terms energy: -52.587703
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -198.224355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.224355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.224355 (E_RNA)
where:
Base-Base interactions energy: -118.401
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.259
local terms energy: -79.563549
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -165.601873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.601873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.601873 (E_RNA)
where:
Base-Base interactions energy: -101.509
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.156
local terms energy: -63.937336
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -13.605
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: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -123.603101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.603101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.603101 (E_RNA)
where:
Base-Base interactions energy: -62.342
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.101
local terms energy: -61.159918
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -127.934981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.934981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.934981 (E_RNA)
where:
Base-Base interactions energy: -66.135
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.057
local terms energy: -61.743376
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -3.047
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -99.747020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.747020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.747020 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -37.950
Base-Backbone interact. energy: -0.106
local terms energy: -51.766892
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -104.007632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.007632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.007632 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -38.083
Base-Backbone interact. energy: -0.062
local terms energy: -65.177734
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.510464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510464 (E_RNA)
where:
Base-Base interactions energy: -41.724
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.142
local terms energy: -53.644341
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -10.392
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -92.444738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.444738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.444738 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.209
local terms energy: -57.172651
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -81.988161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988161 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.859
local terms energy: -52.100570
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -77.784893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.784893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.784893 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.052
local terms energy: -47.375848
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -199.723802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.723802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.723802 (E_RNA)
where:
Base-Base interactions energy: -118.758
where: short stacking energy: -66.370
Base-Backbone interact. energy: -1.147
local terms energy: -79.818774
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -174.790919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.790919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.790919 (E_RNA)
where:
Base-Base interactions energy: -112.836
where: short stacking energy: -56.909
Base-Backbone interact. energy: 1.055
local terms energy: -63.009827
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -115.480017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.480017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.480017 (E_RNA)
where:
Base-Base interactions energy: -51.598
where: short stacking energy: -51.598
Base-Backbone interact. energy: -0.168
local terms energy: -63.714259
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -113.197506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.197506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.197506 (E_RNA)
where:
Base-Base interactions energy: -51.549
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.131
local terms energy: -61.517857
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -116.290279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.290279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.290279 (E_RNA)
where:
Base-Base interactions energy: -57.710
where: short stacking energy: -38.433
Base-Backbone interact. energy: -0.090
local terms energy: -58.489954
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -104.510520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.510520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.510520 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.267
local terms energy: -62.199733
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.331
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: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -98.213641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.213641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.213641 (E_RNA)
where:
Base-Base interactions energy: -47.983
where: short stacking energy: -47.532
Base-Backbone interact. energy: -0.024
local terms energy: -50.207073
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -4.985
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -13.319
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: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -80.711106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.711106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.711106 (E_RNA)
where:
Base-Base interactions energy: -30.408
where: short stacking energy: -27.978
Base-Backbone interact. energy: -0.075
local terms energy: -50.228620
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -82.564924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.564924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.564924 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.122
local terms energy: -45.321329
where:
bonds (distance) C4'-P energy: -6.666
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -7.041
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: 431
Temperature: 1.350000
Total energy: -84.543080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.543080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.543080 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.089
local terms energy: -51.263705
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -7.057
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: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -203.758177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.758177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.758177 (E_RNA)
where:
Base-Base interactions energy: -127.126
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.110
local terms energy: -76.522252
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -16.678
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -160.792833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.792833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.792833 (E_RNA)
where:
Base-Base interactions energy: -91.723
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.288
local terms energy: -68.782107
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -104.258012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.258012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.258012 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -42.707
Base-Backbone interact. energy: 0.160
local terms energy: -57.164691
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -8.418
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: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -100.662936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.662936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.662936 (E_RNA)
where:
Base-Base interactions energy: -42.802
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.114
local terms energy: -57.747764
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -114.421028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.421028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.421028 (E_RNA)
where:
Base-Base interactions energy: -65.448
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.149
local terms energy: -48.824429
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -3.129
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: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -101.521708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521708 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -38.725
Base-Backbone interact. energy: -0.150
local terms energy: -43.587131
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -5.992
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: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -92.583652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583652 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -32.747
Base-Backbone interact. energy: 0.096
local terms energy: -59.932196
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -84.996340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.996340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.996340 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -32.662
Base-Backbone interact. energy: -0.178
local terms energy: -52.156380
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -80.458929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.458929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.458929 (E_RNA)
where:
Base-Base interactions energy: -22.095
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.054
local terms energy: -58.309908
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -6.816
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -82.538899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538899 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.083
local terms energy: -47.347585
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -7.468
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: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -202.127900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127900 (E_RNA)
where:
Base-Base interactions energy: -126.647
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.218
local terms energy: -75.263106
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -163.528352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.528352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.528352 (E_RNA)
where:
Base-Base interactions energy: -93.171
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.457
local terms energy: -69.900925
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -123.752181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.752181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.752181 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -41.740
Base-Backbone interact. energy: -0.621
local terms energy: -69.031392
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -107.875677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.875677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.875677 (E_RNA)
where:
Base-Base interactions energy: -42.846
where: short stacking energy: -42.846
Base-Backbone interact. energy: -0.221
local terms energy: -64.809254
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.964
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: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -94.716599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.716599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.716599 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.072
local terms energy: -56.109656
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.375
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: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -96.932589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932589 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.270
local terms energy: -62.867804
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.878
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -88.946368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.946368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.946368 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -22.541
Base-Backbone interact. energy: 0.305
local terms energy: -51.398367
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -84.755172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755172 (E_RNA)
where:
Base-Base interactions energy: -32.253
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.457
local terms energy: -52.044457
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -78.846248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.846248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.846248 (E_RNA)
where:
Base-Base interactions energy: -32.957
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.007
local terms energy: -45.882327
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -67.609971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.609971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.609971 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -29.607
Base-Backbone interact. energy: 0.918
local terms energy: -36.920901
where:
bonds (distance) C4'-P energy: -5.698
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -210.056274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.056274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.056274 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.016
local terms energy: -81.018191
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -23.987
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: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -156.806995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.806995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.806995 (E_RNA)
where:
Base-Base interactions energy: -87.707
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.046
local terms energy: -69.053824
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -113.548956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.548956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.548956 (E_RNA)
where:
Base-Base interactions energy: -44.859
where: short stacking energy: -44.859
Base-Backbone interact. energy: -0.115
local terms energy: -68.575313
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -125.339273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.339273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.339273 (E_RNA)
where:
Base-Base interactions energy: -68.047
where: short stacking energy: -30.586
Base-Backbone interact. energy: 0.058
local terms energy: -57.350343
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -104.537615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.537615 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.007
local terms energy: -66.230075
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -9.522
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: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -92.347267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.347267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.347267 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.066
local terms energy: -58.596994
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -9.515
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: 434
Temperature: 1.200000
Total energy: -91.091818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.091818 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.109
local terms energy: -58.541979
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -7.295
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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -89.802030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802030 (E_RNA)
where:
Base-Base interactions energy: -36.177
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.070
local terms energy: -53.554599
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -87.084666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084666 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -21.513
Base-Backbone interact. energy: -0.608
local terms energy: -55.659784
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -79.761470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761470 (E_RNA)
where:
Base-Base interactions energy: -33.132
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.046
local terms energy: -46.582709
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.954
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: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -208.727494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.727494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.727494 (E_RNA)
where:
Base-Base interactions energy: -127.264
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.599
local terms energy: -80.864467
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -160.945952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.945952 (E_RNA)
where:
Base-Base interactions energy: -90.770
where: short stacking energy: -62.089
Base-Backbone interact. energy: -0.020
local terms energy: -70.156104
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -120.595779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.595779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.595779 (E_RNA)
where:
Base-Base interactions energy: -59.864
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.072
local terms energy: -60.660194
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -99.898070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898070 (E_RNA)
where:
Base-Base interactions energy: -41.205
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.693
local terms energy: -58.000077
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -114.985569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.985569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.985569 (E_RNA)
where:
Base-Base interactions energy: -63.328
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.444
local terms energy: -51.214153
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -103.360025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.360025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.360025 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -38.800
Base-Backbone interact. energy: -0.202
local terms energy: -64.358035
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.223
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: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -91.488907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.488907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.488907 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -36.308
Base-Backbone interact. energy: -0.257
local terms energy: -52.457629
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -86.286204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286204 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -19.003
Base-Backbone interact. energy: -0.722
local terms energy: -48.120901
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -1.343
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -78.757927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.757927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.757927 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.219
local terms energy: -45.058874
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.207
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: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -75.672968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672968 (E_RNA)
where:
Base-Base interactions energy: -29.061
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.294
local terms energy: -46.318040
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -207.539749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539749 (E_RNA)
where:
Base-Base interactions energy: -124.407
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.213
local terms energy: -82.919808
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -160.014655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.014655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.014655 (E_RNA)
where:
Base-Base interactions energy: -94.314
where: short stacking energy: -55.036
Base-Backbone interact. energy: -0.007
local terms energy: -65.693433
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -103.467798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.467798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.467798 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.137
local terms energy: -60.124565
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.552
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: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -124.112100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.112100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.112100 (E_RNA)
where:
Base-Base interactions energy: -63.240
where: short stacking energy: -47.801
Base-Backbone interact. energy: -0.095
local terms energy: -60.777686
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.718
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: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -103.942181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.942181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.942181 (E_RNA)
where:
Base-Base interactions energy: -51.558
where: short stacking energy: -39.909
Base-Backbone interact. energy: 0.900
local terms energy: -53.284766
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -87.645254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.645254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.645254 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -31.248
Base-Backbone interact. energy: 1.232
local terms energy: -51.964509
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -2.074
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -114.707677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.707677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.707677 (E_RNA)
where:
Base-Base interactions energy: -62.814
where: short stacking energy: -37.848
Base-Backbone interact. energy: -0.099
local terms energy: -51.795024
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -85.688104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688104 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.371
local terms energy: -52.201135
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -86.920273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920273 (E_RNA)
where:
Base-Base interactions energy: -44.019
where: short stacking energy: -35.085
Base-Backbone interact. energy: -0.499
local terms energy: -42.402920
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -75.321941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321941 (E_RNA)
where:
Base-Base interactions energy: -28.152
where: short stacking energy: -25.963
Base-Backbone interact. energy: -0.088
local terms energy: -47.082193
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.570
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: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -204.778204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.778204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.778204 (E_RNA)
where:
Base-Base interactions energy: -124.507
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.066
local terms energy: -80.205404
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -142.578105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.578105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.578105 (E_RNA)
where:
Base-Base interactions energy: -80.441
where: short stacking energy: -39.844
Base-Backbone interact. energy: -0.053
local terms energy: -62.084024
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -120.867625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.867625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.867625 (E_RNA)
where:
Base-Base interactions energy: -53.249
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.070
local terms energy: -67.548493
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -123.492851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.492851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.492851 (E_RNA)
where:
Base-Base interactions energy: -63.256
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.094
local terms energy: -60.142785
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -11.543
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: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -124.448371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.448371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.448371 (E_RNA)
where:
Base-Base interactions energy: -58.911
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.511
local terms energy: -65.026551
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -11.078
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -104.495791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.495791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.495791 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.143
local terms energy: -61.154789
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -104.314496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.314496 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -43.197
Base-Backbone interact. energy: -0.041
local terms energy: -51.181321
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -98.202578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.202578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.202578 (E_RNA)
where:
Base-Base interactions energy: -45.268
where: short stacking energy: -13.206
Base-Backbone interact. energy: -0.128
local terms energy: -52.806909
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -79.729161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729161 (E_RNA)
where:
Base-Base interactions energy: -36.101
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.122
local terms energy: -43.506075
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -68.303225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.303225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.303225 (E_RNA)
where:
Base-Base interactions energy: -20.696
where: short stacking energy: -18.849
Base-Backbone interact. energy: -0.126
local terms energy: -47.481690
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: 3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -196.062687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.062687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.062687 (E_RNA)
where:
Base-Base interactions energy: -116.578
where: short stacking energy: -72.090
Base-Backbone interact. energy: -1.184
local terms energy: -78.300800
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -167.359734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.359734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.359734 (E_RNA)
where:
Base-Base interactions energy: -101.056
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.102
local terms energy: -66.202161
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -113.781457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.781457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.781457 (E_RNA)
where:
Base-Base interactions energy: -51.089
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.089
local terms energy: -62.603020
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -10.667
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: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -114.207676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.207676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.207676 (E_RNA)
where:
Base-Base interactions energy: -51.661
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.035
local terms energy: -62.511860
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.165
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -124.551261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.551261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.551261 (E_RNA)
where:
Base-Base interactions energy: -62.422
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.155
local terms energy: -61.973695
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -113.243731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.243731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.243731 (E_RNA)
where:
Base-Base interactions energy: -60.531
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.120
local terms energy: -52.593075
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -96.986329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986329 (E_RNA)
where:
Base-Base interactions energy: -47.762
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.056
local terms energy: -49.169121
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -94.036239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.036239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.036239 (E_RNA)
where:
Base-Base interactions energy: -48.903
where: short stacking energy: -39.330
Base-Backbone interact. energy: 0.461
local terms energy: -45.593950
where:
bonds (distance) C4'-P energy: -7.136
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -11.049
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -79.365985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.365985 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -28.534
Base-Backbone interact. energy: -0.064
local terms energy: -49.220427
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -98.221807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.221807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.221807 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -46.257
Base-Backbone interact. energy: -0.027
local terms energy: -50.219648
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -194.900867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900867 (E_RNA)
where:
Base-Base interactions energy: -119.225
where: short stacking energy: -70.313
Base-Backbone interact. energy: -0.159
local terms energy: -75.516734
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -172.112169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.112169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.112169 (E_RNA)
where:
Base-Base interactions energy: -100.716
where: short stacking energy: -60.639
Base-Backbone interact. energy: 0.151
local terms energy: -71.547670
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -125.473482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.473482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.473482 (E_RNA)
where:
Base-Base interactions energy: -65.104
where: short stacking energy: -65.043
Base-Backbone interact. energy: 1.682
local terms energy: -62.051951
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -111.946473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.946473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.946473 (E_RNA)
where:
Base-Base interactions energy: -55.438
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.221
local terms energy: -56.287489
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -4.998
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -99.310441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.310441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.310441 (E_RNA)
where:
Base-Base interactions energy: -36.868
where: short stacking energy: -36.868
Base-Backbone interact. energy: 0.405
local terms energy: -62.847458
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.678
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: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -101.865915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.865915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.865915 (E_RNA)
where:
Base-Base interactions energy: -46.632
where: short stacking energy: -46.632
Base-Backbone interact. energy: 0.593
local terms energy: -55.827317
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -97.246577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.246577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.246577 (E_RNA)
where:
Base-Base interactions energy: -44.520
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.456
local terms energy: -52.270691
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -88.493057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.493057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.493057 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -16.559
Base-Backbone interact. energy: -0.250
local terms energy: -48.586443
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -75.753334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.753334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.753334 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -33.692
Base-Backbone interact. energy: -0.176
local terms energy: -41.885196
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.044312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.044312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.044312 (E_RNA)
where:
Base-Base interactions energy: -24.013
where: short stacking energy: -24.013
Base-Backbone interact. energy: -0.419
local terms energy: -48.612239
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -199.377689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.377689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377689 (E_RNA)
where:
Base-Base interactions energy: -122.807
where: short stacking energy: -72.049
Base-Backbone interact. energy: -0.028
local terms energy: -76.542252
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -166.907143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.907143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.907143 (E_RNA)
where:
Base-Base interactions energy: -105.994
where: short stacking energy: -47.102
Base-Backbone interact. energy: -0.028
local terms energy: -60.884868
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -11.194
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: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -119.356232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.356232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.356232 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.159
local terms energy: -65.532241
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -12.850
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: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -108.679587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.679587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.679587 (E_RNA)
where:
Base-Base interactions energy: -50.425
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.072
local terms energy: -58.182437
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -127.356641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.356641 (E_RNA)
where:
Base-Base interactions energy: -64.556
where: short stacking energy: -43.286
Base-Backbone interact. energy: -0.090
local terms energy: -62.710942
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.355
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: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -103.820895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.820895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.820895 (E_RNA)
where:
Base-Base interactions energy: -52.354
where: short stacking energy: -44.906
Base-Backbone interact. energy: -0.302
local terms energy: -51.165131
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -9.063
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: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -82.233199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.233199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.233199 (E_RNA)
where:
Base-Base interactions energy: -37.934
where: short stacking energy: -25.887
Base-Backbone interact. energy: -0.073
local terms energy: -44.226622
where:
bonds (distance) C4'-P energy: -2.903
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -81.945615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945615 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -29.657
Base-Backbone interact. energy: 0.468
local terms energy: -42.427797
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -77.994722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.994722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.994722 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -24.076
Base-Backbone interact. energy: -1.363
local terms energy: -47.965861
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -83.264351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.264351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.264351 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -26.264
Base-Backbone interact. energy: -0.229
local terms energy: -43.287735
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -193.877710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877710 (E_RNA)
where:
Base-Base interactions energy: -126.356
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.003
local terms energy: -67.518400
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -6.514
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -172.860903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.860903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.860903 (E_RNA)
where:
Base-Base interactions energy: -106.571
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.093
local terms energy: -66.197328
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -134.591995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.591995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.591995 (E_RNA)
where:
Base-Base interactions energy: -72.501
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.342
local terms energy: -61.748556
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -8.121
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: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -103.732796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732796 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.728
local terms energy: -62.549614
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -108.874845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.874845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.874845 (E_RNA)
where:
Base-Base interactions energy: -61.320
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.144
local terms energy: -47.410558
where:
bonds (distance) C4'-P energy: -6.384
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -95.961779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.961779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.961779 (E_RNA)
where:
Base-Base interactions energy: -34.367
where: short stacking energy: -34.367
Base-Backbone interact. energy: 0.502
local terms energy: -62.096648
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.365
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: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -98.778529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.778529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.778529 (E_RNA)
where:
Base-Base interactions energy: -43.281
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.155
local terms energy: -55.342884
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -4.881
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: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -92.470370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470370 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.166
local terms energy: -56.183461
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -79.610064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.610064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.610064 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -19.801
Base-Backbone interact. energy: -0.166
local terms energy: -46.324889
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -76.638318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.638318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.638318 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.094
local terms energy: -44.611728
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -197.817226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.817226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.817226 (E_RNA)
where:
Base-Base interactions energy: -116.552
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.001
local terms energy: -81.264297
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -165.397900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.397900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.397900 (E_RNA)
where:
Base-Base interactions energy: -95.206
where: short stacking energy: -49.442
Base-Backbone interact. energy: -0.020
local terms energy: -70.171916
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -13.982
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: 442
Temperature: 1.000000
Total energy: -123.689358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.689358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.689358 (E_RNA)
where:
Base-Base interactions energy: -66.637
where: short stacking energy: -33.964
Base-Backbone interact. energy: 1.022
local terms energy: -58.074898
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -105.865749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865749 (E_RNA)
where:
Base-Base interactions energy: -49.701
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.146
local terms energy: -56.018302
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.142
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -116.622353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.622353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.622353 (E_RNA)
where:
Base-Base interactions energy: -59.491
where: short stacking energy: -36.871
Base-Backbone interact. energy: -0.409
local terms energy: -56.721552
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -98.239462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239462 (E_RNA)
where:
Base-Base interactions energy: -39.313
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.094
local terms energy: -58.833352
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -97.865680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.865680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.865680 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -40.142
Base-Backbone interact. energy: 0.633
local terms energy: -58.357320
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -84.386797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.386797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.386797 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.227
local terms energy: -46.774530
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -80.536476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.536476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.536476 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.071
local terms energy: -42.156128
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -82.551797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.551797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.551797 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -31.443
Base-Backbone interact. energy: -0.012
local terms energy: -46.242229
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -2.643
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -198.733792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.733792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.733792 (E_RNA)
where:
Base-Base interactions energy: -129.057
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.007
local terms energy: -69.669185
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -15.408
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: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -166.216292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.216292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.216292 (E_RNA)
where:
Base-Base interactions energy: -98.305
where: short stacking energy: -48.824
Base-Backbone interact. energy: 0.061
local terms energy: -67.972016
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -125.820642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.820642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.820642 (E_RNA)
where:
Base-Base interactions energy: -71.559
where: short stacking energy: -27.212
Base-Backbone interact. energy: -1.353
local terms energy: -52.909101
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -10.955
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: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -129.893712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.893712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.893712 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -50.191
Base-Backbone interact. energy: -0.153
local terms energy: -64.198249
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -101.971312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.971312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.971312 (E_RNA)
where:
Base-Base interactions energy: -51.637
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.104
local terms energy: -50.229960
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -6.837
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: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -91.241898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.241898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.241898 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -38.596
Base-Backbone interact. energy: -0.190
local terms energy: -52.003362
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -90.833326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833326 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.305
local terms energy: -54.562925
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.181
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: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -83.077411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077411 (E_RNA)
where:
Base-Base interactions energy: -29.314
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.043
local terms energy: -53.720071
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -97.838383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.838383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.838383 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -31.534
Base-Backbone interact. energy: -1.195
local terms energy: -53.504345
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.672498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672498 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.228
local terms energy: -47.835294
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -0.289
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: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -196.536184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.536184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.536184 (E_RNA)
where:
Base-Base interactions energy: -121.348
where: short stacking energy: -75.475
Base-Backbone interact. energy: 0.612
local terms energy: -75.800729
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -173.248871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.248871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.248871 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.006
local terms energy: -71.115207
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -19.671
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -130.828145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.828145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.828145 (E_RNA)
where:
Base-Base interactions energy: -63.268
where: short stacking energy: -49.306
Base-Backbone interact. energy: -0.064
local terms energy: -67.496737
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -108.035245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.035245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.035245 (E_RNA)
where:
Base-Base interactions energy: -48.110
where: short stacking energy: -25.209
Base-Backbone interact. energy: -0.492
local terms energy: -59.433317
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -11.356
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: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -105.787311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.787311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.787311 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.131
local terms energy: -63.230985
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -105.016570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.016570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.016570 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.015
local terms energy: -62.184125
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.884
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -93.623649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.623649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.623649 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.004
local terms energy: -49.025270
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -0.675
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: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -87.022162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022162 (E_RNA)
where:
Base-Base interactions energy: -40.196
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.331
local terms energy: -46.494267
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -72.156928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156928 (E_RNA)
where:
Base-Base interactions energy: -19.198
where: short stacking energy: -18.535
Base-Backbone interact. energy: -0.095
local terms energy: -52.863347
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -70.189686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.189686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.189686 (E_RNA)
where:
Base-Base interactions energy: -12.597
where: short stacking energy: -12.597
Base-Backbone interact. energy: -1.158
local terms energy: -56.434514
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -210.002216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002216 (E_RNA)
where:
Base-Base interactions energy: -131.616
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.035
local terms energy: -78.351049
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -18.267
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: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -169.746100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.746100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.746100 (E_RNA)
where:
Base-Base interactions energy: -101.275
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.018
local terms energy: -68.453996
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -121.999958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.999958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.999958 (E_RNA)
where:
Base-Base interactions energy: -50.949
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.097
local terms energy: -70.953301
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -15.576
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -123.792438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.792438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.792438 (E_RNA)
where:
Base-Base interactions energy: -65.162
where: short stacking energy: -48.447
Base-Backbone interact. energy: -1.731
local terms energy: -56.899154
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -14.107
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: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -114.933631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.933631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.933631 (E_RNA)
where:
Base-Base interactions energy: -52.472
where: short stacking energy: -40.434
Base-Backbone interact. energy: -1.275
local terms energy: -61.186591
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -91.386602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.386602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.386602 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -29.341
Base-Backbone interact. energy: -0.191
local terms energy: -53.618177
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: 0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -96.661979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.661979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.661979 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -35.776
Base-Backbone interact. energy: -0.213
local terms energy: -57.362181
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -11.221
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: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -91.540307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.540307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.540307 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.704
local terms energy: -60.449916
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.023137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023137 (E_RNA)
where:
Base-Base interactions energy: -28.234
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.576
local terms energy: -53.212982
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -82.503039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.503039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.503039 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.212
local terms energy: -49.674552
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.415
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: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -202.830783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.830783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.830783 (E_RNA)
where:
Base-Base interactions energy: -126.885
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.089
local terms energy: -75.857231
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -10.095
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: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -163.738258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.738258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.738258 (E_RNA)
where:
Base-Base interactions energy: -95.299
where: short stacking energy: -44.988
Base-Backbone interact. energy: -0.119
local terms energy: -68.320257
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -130.933658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.933658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.933658 (E_RNA)
where:
Base-Base interactions energy: -59.548
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.819
local terms energy: -70.566236
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -13.240
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: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -113.821220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.821220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.821220 (E_RNA)
where:
Base-Base interactions energy: -52.268
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.333
local terms energy: -61.221111
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -112.775732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.775732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.775732 (E_RNA)
where:
Base-Base interactions energy: -66.514
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.913
local terms energy: -45.349061
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -7.034
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -82.065830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.065830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.065830 (E_RNA)
where:
Base-Base interactions energy: -23.821
where: short stacking energy: -20.814
Base-Backbone interact. energy: -0.154
local terms energy: -58.090814
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -87.070434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070434 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -31.595
Base-Backbone interact. energy: -1.056
local terms energy: -54.418859
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.641
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: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.403537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403537 (E_RNA)
where:
Base-Base interactions energy: -37.318
where: short stacking energy: -26.242
Base-Backbone interact. energy: -1.288
local terms energy: -50.797100
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -10.016
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: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -85.189411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189411 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -30.411
Base-Backbone interact. energy: 0.382
local terms energy: -55.159845
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -73.998976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.998976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.998976 (E_RNA)
where:
Base-Base interactions energy: -26.944
where: short stacking energy: -20.508
Base-Backbone interact. energy: 0.261
local terms energy: -47.316173
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -1.075
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -199.170341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170341 (E_RNA)
where:
Base-Base interactions energy: -118.687
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.376
local terms energy: -80.108095
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -156.197558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.197558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.197558 (E_RNA)
where:
Base-Base interactions energy: -94.285
where: short stacking energy: -48.225
Base-Backbone interact. energy: 0.183
local terms energy: -62.095761
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -125.012988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.012988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.012988 (E_RNA)
where:
Base-Base interactions energy: -65.487
where: short stacking energy: -48.054
Base-Backbone interact. energy: -0.049
local terms energy: -59.477819
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.368
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -133.066522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.066522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.066522 (E_RNA)
where:
Base-Base interactions energy: -79.485
where: short stacking energy: -41.423
Base-Backbone interact. energy: -0.115
local terms energy: -53.466181
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.190
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: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -107.526421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.526421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.526421 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -46.691
Base-Backbone interact. energy: -0.119
local terms energy: -60.716790
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -89.323039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.323039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.323039 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -27.372
Base-Backbone interact. energy: -0.289
local terms energy: -58.822731
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -94.636663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.636663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.636663 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -30.648
Base-Backbone interact. energy: -0.082
local terms energy: -52.728990
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -92.837805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.837805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.837805 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -35.618
Base-Backbone interact. energy: -0.255
local terms energy: -49.201817
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -98.140549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.140549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.140549 (E_RNA)
where:
Base-Base interactions energy: -42.712
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.709
local terms energy: -54.719108
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -3.995
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: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -81.023078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.023078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.023078 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -20.618
Base-Backbone interact. energy: -0.480
local terms energy: -45.768127
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -7.381
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -196.560331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560331 (E_RNA)
where:
Base-Base interactions energy: -135.883
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.022
local terms energy: -60.655315
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -177.943273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.943273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.943273 (E_RNA)
where:
Base-Base interactions energy: -102.392
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.431
local terms energy: -75.120615
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -109.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.259005 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.138
local terms energy: -61.877961
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -7.077
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: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -103.483785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.483785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.483785 (E_RNA)
where:
Base-Base interactions energy: -51.356
where: short stacking energy: -38.270
Base-Backbone interact. energy: 1.441
local terms energy: -53.568263
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -108.179188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.179188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.179188 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.460
local terms energy: -66.649442
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -107.307572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.307572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.307572 (E_RNA)
where:
Base-Base interactions energy: -52.680
where: short stacking energy: -37.829
Base-Backbone interact. energy: -0.062
local terms energy: -54.565778
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -78.510591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.510591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.510591 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -16.157
Base-Backbone interact. energy: -0.209
local terms energy: -47.107687
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -89.357422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.357422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.357422 (E_RNA)
where:
Base-Base interactions energy: -42.002
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.134
local terms energy: -47.222008
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -6.222
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: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -82.953062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.953062 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.978
local terms energy: -42.810560
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -6.856
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: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -76.126180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.126180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.126180 (E_RNA)
where:
Base-Base interactions energy: -19.464
where: short stacking energy: -17.032
Base-Backbone interact. energy: -0.164
local terms energy: -56.497479
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -188.706193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.706193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.706193 (E_RNA)
where:
Base-Base interactions energy: -115.026
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.233
local terms energy: -73.447222
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -177.482986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.482986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.482986 (E_RNA)
where:
Base-Base interactions energy: -104.629
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.027
local terms energy: -72.826554
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -111.332004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.332004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.332004 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -50.974
Base-Backbone interact. energy: 0.594
local terms energy: -58.939725
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -111.239437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.239437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.239437 (E_RNA)
where:
Base-Base interactions energy: -47.474
where: short stacking energy: -43.834
Base-Backbone interact. energy: -0.112
local terms energy: -63.653356
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.825
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: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -98.221323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.221323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.221323 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.171
local terms energy: -61.101511
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -111.788486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.788486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.788486 (E_RNA)
where:
Base-Base interactions energy: -60.635
where: short stacking energy: -41.635
Base-Backbone interact. energy: -0.235
local terms energy: -50.918947
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -4.545
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -96.801050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.801050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.801050 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.021
local terms energy: -63.502503
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -83.636784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.636784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.636784 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -23.458
Base-Backbone interact. energy: 0.508
local terms energy: -50.829233
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -77.204471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.204471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.204471 (E_RNA)
where:
Base-Base interactions energy: -32.604
where: short stacking energy: -28.021
Base-Backbone interact. energy: 0.275
local terms energy: -44.875499
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -72.129358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.129358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.129358 (E_RNA)
where:
Base-Base interactions energy: -23.553
where: short stacking energy: -18.102
Base-Backbone interact. energy: -0.383
local terms energy: -48.193744
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -180.872292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872292 (E_RNA)
where:
Base-Base interactions energy: -107.247
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.142
local terms energy: -73.483268
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -183.430530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430530 (E_RNA)
where:
Base-Base interactions energy: -112.917
where: short stacking energy: -61.239
Base-Backbone interact. energy: -0.080
local terms energy: -70.433163
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -16.786
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: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -128.943361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.943361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.943361 (E_RNA)
where:
Base-Base interactions energy: -73.160
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.104
local terms energy: -55.679436
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -113.020971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.020971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.020971 (E_RNA)
where:
Base-Base interactions energy: -51.998
where: short stacking energy: -46.586
Base-Backbone interact. energy: -0.087
local terms energy: -60.936254
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -104.914736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.914736 (E_RNA)
where:
Base-Base interactions energy: -48.655
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.001
local terms energy: -56.258150
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -102.825021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.825021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.825021 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -26.434
Base-Backbone interact. energy: -0.082
local terms energy: -58.584416
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -94.658577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.658577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.658577 (E_RNA)
where:
Base-Base interactions energy: -45.486
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.445
local terms energy: -48.727136
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -4.982
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: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -96.939913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939913 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -31.181
Base-Backbone interact. energy: -0.036
local terms energy: -54.602358
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -77.495369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.495369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.495369 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -33.172
Base-Backbone interact. energy: 0.033
local terms energy: -44.356584
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -5.800
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: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -86.293528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.293528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.293528 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -26.880
Base-Backbone interact. energy: -0.288
local terms energy: -49.859386
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -8.065
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: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -192.625035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.625035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.625035 (E_RNA)
where:
Base-Base interactions energy: -114.066
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.001
local terms energy: -78.558380
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -189.312113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.312113 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.009
local terms energy: -73.944259
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -120.383568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.383568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.383568 (E_RNA)
where:
Base-Base interactions energy: -62.243
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.153
local terms energy: -57.987819
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -10.470
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: 451
Temperature: 1.050000
Total energy: -122.813234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.813234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.813234 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -38.470
Base-Backbone interact. energy: 0.033
local terms energy: -70.193994
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -99.699802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.699802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.699802 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.041
local terms energy: -56.688477
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.686
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: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -98.941453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941453 (E_RNA)
where:
Base-Base interactions energy: -39.868
where: short stacking energy: -21.167
Base-Backbone interact. energy: -0.432
local terms energy: -58.641510
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.978
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -83.955594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.955594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.955594 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.026
local terms energy: -55.104878
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -87.718018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.718018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.718018 (E_RNA)
where:
Base-Base interactions energy: -40.336
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.117
local terms energy: -47.265285
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.170398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.170398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.170398 (E_RNA)
where:
Base-Base interactions energy: -26.233
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.053
local terms energy: -52.883671
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -4.113
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: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -74.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.125751 (E_RNA)
where:
Base-Base interactions energy: -16.654
where: short stacking energy: -13.708
Base-Backbone interact. energy: -0.071
local terms energy: -57.400276
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -203.342302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.342302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.342302 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -75.701
Base-Backbone interact. energy: -0.003
local terms energy: -75.562023
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -176.942845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.942845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.942845 (E_RNA)
where:
Base-Base interactions energy: -104.861
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.064
local terms energy: -72.017704
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -19.156
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -133.346010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.346010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.346010 (E_RNA)
where:
Base-Base interactions energy: -76.591
where: short stacking energy: -33.548
Base-Backbone interact. energy: -0.142
local terms energy: -56.613423
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.610
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: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -100.007898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.007898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.007898 (E_RNA)
where:
Base-Base interactions energy: -38.791
where: short stacking energy: -38.791
Base-Backbone interact. energy: -0.016
local terms energy: -61.200079
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -12.161
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: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -102.567686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.567686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.567686 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -34.849
Base-Backbone interact. energy: -0.209
local terms energy: -57.678663
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -97.990412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990412 (E_RNA)
where:
Base-Base interactions energy: -38.467
where: short stacking energy: -31.113
Base-Backbone interact. energy: -0.102
local terms energy: -59.422031
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -9.256
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -91.064666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064666 (E_RNA)
where:
Base-Base interactions energy: -36.367
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.073
local terms energy: -54.624496
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.434
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: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -85.105242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105242 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.165
local terms energy: -49.773287
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -77.672432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672432 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.425
local terms energy: -40.337380
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -3.056
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -79.676611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676611 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.789
local terms energy: -52.248971
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -7.831
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -201.699503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.699503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699503 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.494
local terms energy: -80.690619
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -186.428608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.428608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.428608 (E_RNA)
where:
Base-Base interactions energy: -113.100
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.000
local terms energy: -73.327977
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -122.525176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.525176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.525176 (E_RNA)
where:
Base-Base interactions energy: -62.059
where: short stacking energy: -43.522
Base-Backbone interact. energy: 0.230
local terms energy: -60.695933
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -117.586628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.586628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.586628 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.015
local terms energy: -55.728625
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -8.276
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -107.294004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.294004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.294004 (E_RNA)
where:
Base-Base interactions energy: -46.269
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.055
local terms energy: -60.970356
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -122.596515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.596515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.596515 (E_RNA)
where:
Base-Base interactions energy: -59.747
where: short stacking energy: -31.881
Base-Backbone interact. energy: -2.266
local terms energy: -60.583498
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -94.275770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.275770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.275770 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -32.920
Base-Backbone interact. energy: -0.248
local terms energy: -61.107993
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -7.437
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: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.809421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809421 (E_RNA)
where:
Base-Base interactions energy: -36.102
where: short stacking energy: -21.407
Base-Backbone interact. energy: -1.055
local terms energy: -55.652020
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -72.297188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.297188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.297188 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -21.516
Base-Backbone interact. energy: -0.698
local terms energy: -43.069702
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -76.226994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226994 (E_RNA)
where:
Base-Base interactions energy: -20.616
where: short stacking energy: -20.077
Base-Backbone interact. energy: -0.488
local terms energy: -55.122389
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -195.484707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.484707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.484707 (E_RNA)
where:
Base-Base interactions energy: -120.972
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.889
local terms energy: -73.622733
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -5.986
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: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -183.647866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.647866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.647866 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -57.039
Base-Backbone interact. energy: 2.599
local terms energy: -64.874206
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -109.304478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.304478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.304478 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.065
local terms energy: -63.593565
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -133.521418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.521418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.521418 (E_RNA)
where:
Base-Base interactions energy: -76.233
where: short stacking energy: -52.354
Base-Backbone interact. energy: -0.164
local terms energy: -57.123697
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -108.935460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.935460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.935460 (E_RNA)
where:
Base-Base interactions energy: -60.834
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.419
local terms energy: -47.682079
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -90.008504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.008504 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.085
local terms energy: -57.129353
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -97.488832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488832 (E_RNA)
where:
Base-Base interactions energy: -56.489
where: short stacking energy: -42.445
Base-Backbone interact. energy: -0.011
local terms energy: -40.988810
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -1.511
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: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -78.005951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005951 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.211
local terms energy: -48.551062
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -80.993240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993240 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -29.199
Base-Backbone interact. energy: -0.003
local terms energy: -51.790730
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -72.025228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.025228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.025228 (E_RNA)
where:
Base-Base interactions energy: -22.402
where: short stacking energy: -22.377
Base-Backbone interact. energy: -0.800
local terms energy: -48.823791
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -185.680590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.680590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.680590 (E_RNA)
where:
Base-Base interactions energy: -115.784
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.026
local terms energy: -69.870564
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -183.941320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.941320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.941320 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.168
local terms energy: -69.194567
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -122.559521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.559521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.559521 (E_RNA)
where:
Base-Base interactions energy: -59.529
where: short stacking energy: -59.529
Base-Backbone interact. energy: -0.014
local terms energy: -63.016086
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -118.542961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.542961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.542961 (E_RNA)
where:
Base-Base interactions energy: -59.034
where: short stacking energy: -39.583
Base-Backbone interact. energy: -1.133
local terms energy: -58.376721
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -116.141096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.141096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.141096 (E_RNA)
where:
Base-Base interactions energy: -60.090
where: short stacking energy: -38.202
Base-Backbone interact. energy: -0.060
local terms energy: -55.991502
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -96.741240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.741240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.741240 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.006
local terms energy: -61.286743
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -9.203
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: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -107.787161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.787161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.787161 (E_RNA)
where:
Base-Base interactions energy: -51.790
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.741
local terms energy: -55.255621
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.117
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: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -83.337746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.337746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.337746 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.621
local terms energy: -49.594620
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -91.738308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.738308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.738308 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -37.027
Base-Backbone interact. energy: -0.174
local terms energy: -52.978633
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.009
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: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -74.366946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.366946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.366946 (E_RNA)
where:
Base-Base interactions energy: -26.822
where: short stacking energy: -23.193
Base-Backbone interact. energy: -0.051
local terms energy: -47.493505
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -191.835152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.835152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.835152 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.081
local terms energy: -73.544789
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -190.930657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.930657 (E_RNA)
where:
Base-Base interactions energy: -114.282
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.011
local terms energy: -76.637973
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -131.116005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.116005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.116005 (E_RNA)
where:
Base-Base interactions energy: -69.028
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.061
local terms energy: -62.026918
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -109.317541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.317541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.317541 (E_RNA)
where:
Base-Base interactions energy: -44.812
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.011
local terms energy: -64.494187
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -106.599017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599017 (E_RNA)
where:
Base-Base interactions energy: -44.158
where: short stacking energy: -41.628
Base-Backbone interact. energy: -0.300
local terms energy: -62.140567
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -116.152525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.152525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.152525 (E_RNA)
where:
Base-Base interactions energy: -56.346
where: short stacking energy: -36.271
Base-Backbone interact. energy: -0.205
local terms energy: -59.601132
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -101.618100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.618100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.618100 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.023
local terms energy: -56.123229
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -95.948570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.948570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.948570 (E_RNA)
where:
Base-Base interactions energy: -44.733
where: short stacking energy: -26.455
Base-Backbone interact. energy: -0.033
local terms energy: -51.182250
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -81.259090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259090 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -22.781
Base-Backbone interact. energy: -0.083
local terms energy: -44.697937
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -78.557052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.557052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.557052 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.187
local terms energy: -49.007932
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -3.612
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -181.526987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.526987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.526987 (E_RNA)
where:
Base-Base interactions energy: -113.394
where: short stacking energy: -57.700
Base-Backbone interact. energy: -0.703
local terms energy: -67.429313
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -182.374778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.374778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.374778 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.008
local terms energy: -72.617714
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -124.347452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.347452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.347452 (E_RNA)
where:
Base-Base interactions energy: -56.450
where: short stacking energy: -45.436
Base-Backbone interact. energy: -0.400
local terms energy: -67.497600
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -114.500345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.500345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.500345 (E_RNA)
where:
Base-Base interactions energy: -55.842
where: short stacking energy: -34.937
Base-Backbone interact. energy: 0.950
local terms energy: -59.608452
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -107.734645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.734645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.734645 (E_RNA)
where:
Base-Base interactions energy: -49.727
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.003
local terms energy: -58.004393
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -112.582907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.582907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.582907 (E_RNA)
where:
Base-Base interactions energy: -58.552
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.196
local terms energy: -53.834949
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -100.442692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442692 (E_RNA)
where:
Base-Base interactions energy: -49.709
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.068
local terms energy: -50.666151
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -87.975838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.975838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.975838 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.021
local terms energy: -49.361262
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -2.844
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: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -83.588570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588570 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.106
local terms energy: -49.709213
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -77.295412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.295412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.295412 (E_RNA)
where:
Base-Base interactions energy: -22.917
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.295
local terms energy: -54.083386
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -198.598692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.598692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.598692 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.374
local terms energy: -77.191966
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -17.837
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: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -185.293145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.293145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.293145 (E_RNA)
where:
Base-Base interactions energy: -108.086
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.168
local terms energy: -77.039399
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -143.534452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.534452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.534452 (E_RNA)
where:
Base-Base interactions energy: -76.936
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.117
local terms energy: -66.481552
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.082
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: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -118.344643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.344643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.344643 (E_RNA)
where:
Base-Base interactions energy: -52.019
where: short stacking energy: -39.173
Base-Backbone interact. energy: -0.500
local terms energy: -65.825040
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.408
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: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -104.141238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.141238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.141238 (E_RNA)
where:
Base-Base interactions energy: -49.002
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.114
local terms energy: -55.025001
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -89.445073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.445073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.445073 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -34.846
Base-Backbone interact. energy: -0.056
local terms energy: -54.543262
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -95.175104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.175104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.175104 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -36.968
Base-Backbone interact. energy: -0.318
local terms energy: -45.574167
where:
bonds (distance) C4'-P energy: -4.812
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.718
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: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -92.659260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659260 (E_RNA)
where:
Base-Base interactions energy: -37.144
where: short stacking energy: -36.146
Base-Backbone interact. energy: -1.156
local terms energy: -54.359544
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -7.791
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: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -87.321293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.321293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.321293 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -28.176
Base-Backbone interact. energy: -0.018
local terms energy: -56.478973
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -5.324
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: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -89.502468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.502468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.502468 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.119
local terms energy: -52.197276
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -200.366444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.366444 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.043
local terms energy: -82.064214
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -22.366
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: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -186.949312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.949312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.949312 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -51.068
Base-Backbone interact. energy: -0.098
local terms energy: -64.599432
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -15.457
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: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -126.107033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.107033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.107033 (E_RNA)
where:
Base-Base interactions energy: -64.822
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.298
local terms energy: -60.986903
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -108.759618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.759618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.759618 (E_RNA)
where:
Base-Base interactions energy: -49.389
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.116
local terms energy: -59.254806
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -122.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.129561 (E_RNA)
where:
Base-Base interactions energy: -53.626
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.044
local terms energy: -68.459819
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -107.559793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.559793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.559793 (E_RNA)
where:
Base-Base interactions energy: -54.751
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.148
local terms energy: -52.660632
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -100.847765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.847765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.847765 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -37.647
Base-Backbone interact. energy: -0.110
local terms energy: -63.091045
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -85.591077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.591077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.591077 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.090
local terms energy: -53.556342
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -100.501308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501308 (E_RNA)
where:
Base-Base interactions energy: -40.318
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.021
local terms energy: -60.162951
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -73.264789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.264789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.264789 (E_RNA)
where:
Base-Base interactions energy: -32.752
where: short stacking energy: -23.625
Base-Backbone interact. energy: 0.582
local terms energy: -41.094504
where:
bonds (distance) C4'-P energy: -7.355
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -202.402324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402324 (E_RNA)
where:
Base-Base interactions energy: -126.416
where: short stacking energy: -74.413
Base-Backbone interact. energy: 0.149
local terms energy: -76.134803
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -192.958183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958183 (E_RNA)
where:
Base-Base interactions energy: -117.625
where: short stacking energy: -56.899
Base-Backbone interact. energy: -1.303
local terms energy: -74.030104
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -127.709795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.709795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.709795 (E_RNA)
where:
Base-Base interactions energy: -63.160
where: short stacking energy: -56.490
Base-Backbone interact. energy: -0.009
local terms energy: -64.540518
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.301
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: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -113.118302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.118302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.118302 (E_RNA)
where:
Base-Base interactions energy: -52.779
where: short stacking energy: -52.779
Base-Backbone interact. energy: 2.397
local terms energy: -62.736037
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -110.640768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.640768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.640768 (E_RNA)
where:
Base-Base interactions energy: -57.981
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.263
local terms energy: -52.396120
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -99.983975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.983975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.983975 (E_RNA)
where:
Base-Base interactions energy: -50.093
where: short stacking energy: -41.662
Base-Backbone interact. energy: 0.019
local terms energy: -49.909296
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -8.748
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: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -99.242045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.242045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.242045 (E_RNA)
where:
Base-Base interactions energy: -46.596
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.568
local terms energy: -52.078158
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -86.439904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.439904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.439904 (E_RNA)
where:
Base-Base interactions energy: -25.745
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.019
local terms energy: -60.676008
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -78.775828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.775828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.775828 (E_RNA)
where:
Base-Base interactions energy: -27.671
where: short stacking energy: -12.003
Base-Backbone interact. energy: -0.813
local terms energy: -50.291303
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -79.689645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.689645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.689645 (E_RNA)
where:
Base-Base interactions energy: -26.743
where: short stacking energy: -24.406
Base-Backbone interact. energy: -0.018
local terms energy: -52.928973
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -204.619916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.619916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.619916 (E_RNA)
where:
Base-Base interactions energy: -121.178
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.003
local terms energy: -83.438105
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -20.097
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: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -185.851050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851050 (E_RNA)
where:
Base-Base interactions energy: -117.651
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.038
local terms energy: -68.162039
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -127.803251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.803251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.803251 (E_RNA)
where:
Base-Base interactions energy: -66.132
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.004
local terms energy: -61.667210
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -108.986561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.986561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.986561 (E_RNA)
where:
Base-Base interactions energy: -52.439
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.397
local terms energy: -56.151397
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -9.819
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -108.705813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.705813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.705813 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -41.426
Base-Backbone interact. energy: -0.112
local terms energy: -67.167404
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -103.277748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.277748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.277748 (E_RNA)
where:
Base-Base interactions energy: -43.658
where: short stacking energy: -38.831
Base-Backbone interact. energy: -0.131
local terms energy: -59.489349
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -96.152340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.152340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.152340 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.031
local terms energy: -66.162038
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -82.661884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.661884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.661884 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.167
local terms energy: -45.518622
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -85.067218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067218 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.780
local terms energy: -48.022269
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -7.851
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: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -83.940490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940490 (E_RNA)
where:
Base-Base interactions energy: -36.815
where: short stacking energy: -36.815
Base-Backbone interact. energy: -0.164
local terms energy: -46.961594
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -7.234
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: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -184.368319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368319 (E_RNA)
where:
Base-Base interactions energy: -112.782
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.141
local terms energy: -71.444485
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.480
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: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -180.912627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.912627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.912627 (E_RNA)
where:
Base-Base interactions energy: -111.019
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.687
local terms energy: -69.206655
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -122.098066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.098066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.098066 (E_RNA)
where:
Base-Base interactions energy: -60.651
where: short stacking energy: -41.760
Base-Backbone interact. energy: -0.263
local terms energy: -61.184415
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.810
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: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -128.188356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.188356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.188356 (E_RNA)
where:
Base-Base interactions energy: -60.910
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.021
local terms energy: -67.257305
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -113.464278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.464278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.464278 (E_RNA)
where:
Base-Base interactions energy: -52.606
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.163
local terms energy: -60.694976
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -107.872271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.872271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.872271 (E_RNA)
where:
Base-Base interactions energy: -53.207
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.002
local terms energy: -54.663188
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -97.667111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.667111 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.347
local terms energy: -56.000157
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -88.752496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.752496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.752496 (E_RNA)
where:
Base-Base interactions energy: -39.655
where: short stacking energy: -39.655
Base-Backbone interact. energy: 0.757
local terms energy: -49.854447
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -90.705510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.705510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.705510 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.085
local terms energy: -54.524854
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -76.653597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653597 (E_RNA)
where:
Base-Base interactions energy: -22.985
where: short stacking energy: -20.979
Base-Backbone interact. energy: -0.098
local terms energy: -53.571089
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -4.703
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: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -178.284505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.284505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.284505 (E_RNA)
where:
Base-Base interactions energy: -105.810
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.356
local terms energy: -72.118151
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -191.709069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.709069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.709069 (E_RNA)
where:
Base-Base interactions energy: -116.918
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.727
local terms energy: -74.063706
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.643
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: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -119.391535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.391535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.391535 (E_RNA)
where:
Base-Base interactions energy: -59.478
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.440
local terms energy: -59.474324
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -114.827815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.827815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.827815 (E_RNA)
where:
Base-Base interactions energy: -51.384
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.021
local terms energy: -63.422495
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -11.330
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -98.549729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549729 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.134
local terms energy: -55.557472
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -95.195509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195509 (E_RNA)
where:
Base-Base interactions energy: -41.316
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.416
local terms energy: -53.462845
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -13.054
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: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -84.611692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.611692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.611692 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -34.004
Base-Backbone interact. energy: 0.008
local terms energy: -49.795239
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -5.860
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -82.189691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189691 (E_RNA)
where:
Base-Base interactions energy: -32.597
where: short stacking energy: -24.057
Base-Backbone interact. energy: -1.464
local terms energy: -48.128369
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -11.395
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -79.765954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.765954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.765954 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.015
local terms energy: -49.307319
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -76.385435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385435 (E_RNA)
where:
Base-Base interactions energy: -31.540
where: short stacking energy: -29.773
Base-Backbone interact. energy: -1.249
local terms energy: -43.595929
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -198.034855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.034855 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.024
local terms energy: -78.736173
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -161.035193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.035193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.035193 (E_RNA)
where:
Base-Base interactions energy: -87.695
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.102
local terms energy: -73.237937
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -12.228
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: 464
Temperature: 1.000000
Total energy: -130.071555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.071555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.071555 (E_RNA)
where:
Base-Base interactions energy: -58.949
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.008
local terms energy: -71.114401
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -17.405
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: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -136.970268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.970268 (E_RNA)
where:
Base-Base interactions energy: -67.940
where: short stacking energy: -46.364
Base-Backbone interact. energy: -0.468
local terms energy: -68.562563
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.144
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: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -109.742589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.742589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.742589 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.067
local terms energy: -71.139833
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -87.096064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096064 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.059
local terms energy: -54.614430
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -93.525631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525631 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.234
local terms energy: -52.788675
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -1.868
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: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -94.912211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.912211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.912211 (E_RNA)
where:
Base-Base interactions energy: -42.405
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.535
local terms energy: -51.971544
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -78.168664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.168664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.168664 (E_RNA)
where:
Base-Base interactions energy: -31.744
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.046
local terms energy: -46.377709
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -0.507
tors. eta vs tors. theta energy: -3.780
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: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -71.571559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.571559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.571559 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -20.263
Base-Backbone interact. energy: -0.146
local terms energy: -49.819670
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -198.883321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.883321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.883321 (E_RNA)
where:
Base-Base interactions energy: -118.856
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.002
local terms energy: -80.025906
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.797
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: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -157.643772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.643772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.643772 (E_RNA)
where:
Base-Base interactions energy: -98.262
where: short stacking energy: -46.098
Base-Backbone interact. energy: 1.007
local terms energy: -60.388114
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -9.639
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -129.232583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.232583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.232583 (E_RNA)
where:
Base-Base interactions energy: -59.190
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.554
local terms energy: -69.487872
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -12.163
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: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -106.539085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.539085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.539085 (E_RNA)
where:
Base-Base interactions energy: -41.750
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.145
local terms energy: -64.644678
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -111.697144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.697144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.697144 (E_RNA)
where:
Base-Base interactions energy: -56.937
where: short stacking energy: -36.838
Base-Backbone interact. energy: 1.080
local terms energy: -55.840059
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -100.797970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.797970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.797970 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.156
local terms energy: -59.811575
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.570
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: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -93.031217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031217 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -32.612
Base-Backbone interact. energy: -0.102
local terms energy: -56.820303
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -86.360964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.360964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.360964 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.187
local terms energy: -50.829271
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -5.878
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: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -100.301508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.301508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.301508 (E_RNA)
where:
Base-Base interactions energy: -50.706
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.073
local terms energy: -49.523199
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -75.344533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.344533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.344533 (E_RNA)
where:
Base-Base interactions energy: -40.244
where: short stacking energy: -35.760
Base-Backbone interact. energy: -0.127
local terms energy: -34.974253
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: 1.454
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -202.381782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.381782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.381782 (E_RNA)
where:
Base-Base interactions energy: -123.427
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.003
local terms energy: -78.952376
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -172.448451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.448451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.448451 (E_RNA)
where:
Base-Base interactions energy: -111.679
where: short stacking energy: -47.584
Base-Backbone interact. energy: -0.291
local terms energy: -60.479355
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -10.373
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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -118.238818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.238818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.238818 (E_RNA)
where:
Base-Base interactions energy: -66.762
where: short stacking energy: -29.894
Base-Backbone interact. energy: 1.318
local terms energy: -52.794686
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -127.962277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.962277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.962277 (E_RNA)
where:
Base-Base interactions energy: -62.887
where: short stacking energy: -52.618
Base-Backbone interact. energy: -0.116
local terms energy: -64.959775
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -112.565530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.565530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.565530 (E_RNA)
where:
Base-Base interactions energy: -55.435
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.334
local terms energy: -56.796186
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -97.053869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.053869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.053869 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.093
local terms energy: -61.371729
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -93.339244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.339244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.339244 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -35.762
Base-Backbone interact. energy: -0.110
local terms energy: -57.467665
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -83.429467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429467 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -27.022
Base-Backbone interact. energy: -0.527
local terms energy: -52.352743
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -86.219703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.219703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.219703 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.181
local terms energy: -48.259997
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.746058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.746058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.746058 (E_RNA)
where:
Base-Base interactions energy: -31.695
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.046
local terms energy: -50.005484
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -197.706696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.706696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.706696 (E_RNA)
where:
Base-Base interactions energy: -117.030
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.087
local terms energy: -80.590429
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.990
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -191.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.148805 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.219
local terms energy: -73.195842
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -121.697696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.697696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.697696 (E_RNA)
where:
Base-Base interactions energy: -52.999
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.066
local terms energy: -68.632477
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -144.378162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.378162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.378162 (E_RNA)
where:
Base-Base interactions energy: -80.282
where: short stacking energy: -34.169
Base-Backbone interact. energy: -0.846
local terms energy: -63.250049
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.939
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -96.978867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.978867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.978867 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.047
local terms energy: -62.050822
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -97.319267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319267 (E_RNA)
where:
Base-Base interactions energy: -42.465
where: short stacking energy: -38.712
Base-Backbone interact. energy: -0.068
local terms energy: -54.785873
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -5.405
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: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -89.720192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.720192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.720192 (E_RNA)
where:
Base-Base interactions energy: -38.448
where: short stacking energy: -32.101
Base-Backbone interact. energy: -0.093
local terms energy: -51.179003
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -88.023762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023762 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.069
local terms energy: -53.816568
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.666
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: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -94.861562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.861562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.861562 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -39.631
Base-Backbone interact. energy: -0.246
local terms energy: -52.100341
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -75.253372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.253372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.253372 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -21.298
Base-Backbone interact. energy: -0.485
local terms energy: -49.428574
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -187.352451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.352451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.352451 (E_RNA)
where:
Base-Base interactions energy: -122.117
where: short stacking energy: -60.504
Base-Backbone interact. energy: 1.518
local terms energy: -66.753143
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -188.897050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.897050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.897050 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.057
local terms energy: -74.908117
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -122.421848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.421848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.421848 (E_RNA)
where:
Base-Base interactions energy: -51.083
where: short stacking energy: -45.165
Base-Backbone interact. energy: -0.025
local terms energy: -71.313850
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -122.619661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.619661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.619661 (E_RNA)
where:
Base-Base interactions energy: -62.169
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.403
local terms energy: -60.047724
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -113.585317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.585317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.585317 (E_RNA)
where:
Base-Base interactions energy: -59.306
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.009
local terms energy: -54.269780
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -90.336746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.336746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.336746 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -37.111
Base-Backbone interact. energy: -0.112
local terms energy: -53.113317
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -96.501119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501119 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -40.010
Base-Backbone interact. energy: -0.069
local terms energy: -54.557110
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -89.343311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.343311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.343311 (E_RNA)
where:
Base-Base interactions energy: -38.202
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.137
local terms energy: -51.004436
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.167
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: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -82.560513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.560513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.560513 (E_RNA)
where:
Base-Base interactions energy: -20.430
where: short stacking energy: -20.430
Base-Backbone interact. energy: -0.080
local terms energy: -62.050856
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -77.882076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.882076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.882076 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.060
local terms energy: -48.244014
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -182.986481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.986481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.986481 (E_RNA)
where:
Base-Base interactions energy: -122.549
where: short stacking energy: -54.519
Base-Backbone interact. energy: -0.121
local terms energy: -60.316664
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -10.958
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -187.073823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.073823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.073823 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -66.855
Base-Backbone interact. energy: -0.047
local terms energy: -69.746484
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -111.333060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.333060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.333060 (E_RNA)
where:
Base-Base interactions energy: -52.841
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.153
local terms energy: -58.338935
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -113.872340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.872340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.872340 (E_RNA)
where:
Base-Base interactions energy: -47.078
where: short stacking energy: -47.078
Base-Backbone interact. energy: -0.053
local terms energy: -66.741130
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.831
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: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -110.647073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.647073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.647073 (E_RNA)
where:
Base-Base interactions energy: -42.917
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.268
local terms energy: -67.462615
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -13.651
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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -98.287083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.287083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.287083 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -45.881
Base-Backbone interact. energy: -0.301
local terms energy: -45.157131
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -93.365193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.365193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.365193 (E_RNA)
where:
Base-Base interactions energy: -47.771
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.267
local terms energy: -45.327010
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -101.830265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830265 (E_RNA)
where:
Base-Base interactions energy: -47.374
where: short stacking energy: -28.939
Base-Backbone interact. energy: -1.071
local terms energy: -53.385134
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: 0.161
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: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -87.766730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766730 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.138
local terms energy: -51.985060
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -8.390
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: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -76.679458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.679458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.679458 (E_RNA)
where:
Base-Base interactions energy: -27.939
where: short stacking energy: -27.939
Base-Backbone interact. energy: 0.834
local terms energy: -49.574514
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -198.851137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.851137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.851137 (E_RNA)
where:
Base-Base interactions energy: -119.398
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.072
local terms energy: -79.380876
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -182.150422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.150422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.150422 (E_RNA)
where:
Base-Base interactions energy: -116.686
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.090
local terms energy: -65.374433
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -12.581
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: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -121.151849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.151849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.151849 (E_RNA)
where:
Base-Base interactions energy: -52.322
where: short stacking energy: -52.322
Base-Backbone interact. energy: -0.000
local terms energy: -68.829617
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -107.489860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.489860 (E_RNA)
where:
Base-Base interactions energy: -47.452
where: short stacking energy: -37.094
Base-Backbone interact. energy: 0.239
local terms energy: -60.276633
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -7.638
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: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -113.426271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.426271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.426271 (E_RNA)
where:
Base-Base interactions energy: -58.010
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.003
local terms energy: -55.413811
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -121.266638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.266638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.266638 (E_RNA)
where:
Base-Base interactions energy: -54.794
where: short stacking energy: -41.897
Base-Backbone interact. energy: -0.217
local terms energy: -66.255615
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -85.214262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214262 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.028
local terms energy: -54.264073
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.137
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -92.568762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.568762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.568762 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.048
local terms energy: -50.376272
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -6.217
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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -84.315136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315136 (E_RNA)
where:
Base-Base interactions energy: -42.900
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.056
local terms energy: -41.359053
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -0.680
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: 470
Temperature: 1.350000
Total energy: -75.955041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.955041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.955041 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.003
local terms energy: -45.149542
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -185.539010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.539010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.539010 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.006
local terms energy: -71.043684
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -178.829761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.829761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.829761 (E_RNA)
where:
Base-Base interactions energy: -115.825
where: short stacking energy: -41.289
Base-Backbone interact. energy: 0.680
local terms energy: -63.684386
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -108.076548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076548 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.287
local terms energy: -59.979300
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -126.154987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.154987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.154987 (E_RNA)
where:
Base-Base interactions energy: -61.881
where: short stacking energy: -55.673
Base-Backbone interact. energy: 0.019
local terms energy: -64.293361
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -11.152
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: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -103.671661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.671661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.671661 (E_RNA)
where:
Base-Base interactions energy: -47.334
where: short stacking energy: -30.281
Base-Backbone interact. energy: 0.600
local terms energy: -56.937391
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -95.272740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.272740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.272740 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.430
local terms energy: -53.855122
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -87.703255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703255 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -34.490
Base-Backbone interact. energy: -0.143
local terms energy: -53.069964
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -89.374499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.374499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.374499 (E_RNA)
where:
Base-Base interactions energy: -38.681
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.201
local terms energy: -50.492287
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -6.110
flat angles P-C4'-P energy: -11.516
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: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -87.006666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.006666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.006666 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.167
local terms energy: -50.239481
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -7.751
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: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -81.477682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.477682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.477682 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.060
local terms energy: -46.994532
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -182.119381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.119381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.119381 (E_RNA)
where:
Base-Base interactions energy: -113.921
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.030
local terms energy: -68.168627
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -191.313124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.313124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.313124 (E_RNA)
where:
Base-Base interactions energy: -115.043
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.018
local terms energy: -76.252332
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -123.657887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.657887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.657887 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -47.831
Base-Backbone interact. energy: -0.017
local terms energy: -74.672925
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -17.993
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: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -117.039367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.039367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.039367 (E_RNA)
where:
Base-Base interactions energy: -64.428
where: short stacking energy: -47.210
Base-Backbone interact. energy: -0.010
local terms energy: -52.601280
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -105.243773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.243773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.243773 (E_RNA)
where:
Base-Base interactions energy: -48.032
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.097
local terms energy: -57.114568
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.925
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: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -108.678732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.678732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.678732 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -46.741
Base-Backbone interact. energy: 0.179
local terms energy: -62.117230
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -91.527629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527629 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.542
local terms energy: -56.459946
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -0.743
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: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -88.040308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040308 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.039
local terms energy: -56.292630
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -102.052135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.052135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.052135 (E_RNA)
where:
Base-Base interactions energy: -41.358
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.013
local terms energy: -60.680980
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -11.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -76.734305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734305 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.199
local terms energy: -51.944502
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -185.781266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.781266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.781266 (E_RNA)
where:
Base-Base interactions energy: -119.093
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.038
local terms energy: -66.650537
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -199.874121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.874121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.874121 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.066
local terms energy: -79.292958
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -136.379005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.379005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.379005 (E_RNA)
where:
Base-Base interactions energy: -66.727
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.000
local terms energy: -69.651503
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -16.713
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: 473
Temperature: 1.050000
Total energy: -106.145954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.145954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.145954 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -35.720
Base-Backbone interact. energy: 0.118
local terms energy: -63.218541
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.300
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: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -113.790007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.790007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.790007 (E_RNA)
where:
Base-Base interactions energy: -57.564
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.992
local terms energy: -55.233698
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -2.367
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -94.396347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.396347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.396347 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.714
local terms energy: -56.955634
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -8.268
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -98.142857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.142857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.142857 (E_RNA)
where:
Base-Base interactions energy: -48.831
where: short stacking energy: -32.051
Base-Backbone interact. energy: -0.048
local terms energy: -49.263680
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -83.090106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.090106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.090106 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.087
local terms energy: -50.549794
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -104.726647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.726647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.726647 (E_RNA)
where:
Base-Base interactions energy: -54.057
where: short stacking energy: -35.314
Base-Backbone interact. energy: -0.193
local terms energy: -50.476533
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -7.470
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: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -76.548401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.548401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.548401 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.251
local terms energy: -42.723321
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: 3.044
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: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -206.952392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.952392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.952392 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.313
local terms energy: -79.837316
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -19.651
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: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -186.780774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.780774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.780774 (E_RNA)
where:
Base-Base interactions energy: -114.820
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.078
local terms energy: -71.882254
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -134.736672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.736672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.736672 (E_RNA)
where:
Base-Base interactions energy: -65.170
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.832
local terms energy: -68.734530
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -16.327
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -112.111154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.111154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.111154 (E_RNA)
where:
Base-Base interactions energy: -57.811
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.179
local terms energy: -54.121425
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -94.423242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.423242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.423242 (E_RNA)
where:
Base-Base interactions energy: -30.634
where: short stacking energy: -30.634
Base-Backbone interact. energy: -0.745
local terms energy: -63.044447
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -9.040
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: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -98.939014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.939014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.939014 (E_RNA)
where:
Base-Base interactions energy: -48.223
where: short stacking energy: -48.223
Base-Backbone interact. energy: -0.349
local terms energy: -50.366598
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -97.941136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.941136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.941136 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -36.833
Base-Backbone interact. energy: 0.009
local terms energy: -61.116418
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -79.985871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985871 (E_RNA)
where:
Base-Base interactions energy: -42.447
where: short stacking energy: -31.629
Base-Backbone interact. energy: -1.532
local terms energy: -36.007257
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: 2.669
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -85.368517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368517 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -19.931
Base-Backbone interact. energy: -0.130
local terms energy: -52.404138
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -76.599124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.599124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.599124 (E_RNA)
where:
Base-Base interactions energy: -30.546
where: short stacking energy: -30.546
Base-Backbone interact. energy: -0.225
local terms energy: -45.827559
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -206.155009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.155009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.155009 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.070
local terms energy: -76.320655
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -177.230870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.230870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.230870 (E_RNA)
where:
Base-Base interactions energy: -101.881
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.112
local terms energy: -75.237606
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -127.953400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.953400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.953400 (E_RNA)
where:
Base-Base interactions energy: -64.759
where: short stacking energy: -40.289
Base-Backbone interact. energy: -0.097
local terms energy: -63.097422
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -116.043844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.043844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.043844 (E_RNA)
where:
Base-Base interactions energy: -50.494
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.481
local terms energy: -65.068276
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -108.701950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.701950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.701950 (E_RNA)
where:
Base-Base interactions energy: -51.132
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.566
local terms energy: -57.004543
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -98.542935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.542935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.542935 (E_RNA)
where:
Base-Base interactions energy: -41.997
where: short stacking energy: -34.659
Base-Backbone interact. energy: -0.535
local terms energy: -56.010099
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -86.135050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135050 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -34.410
Base-Backbone interact. energy: -0.074
local terms energy: -51.387268
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -7.663
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: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -91.799457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.799457 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -37.079
Base-Backbone interact. energy: -0.200
local terms energy: -46.234032
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -79.531603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.531603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.531603 (E_RNA)
where:
Base-Base interactions energy: -27.342
where: short stacking energy: -21.629
Base-Backbone interact. energy: -0.093
local terms energy: -52.097202
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -1.639
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -74.027249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.027249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.027249 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.081
local terms energy: -43.236460
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -5.181
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: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -194.485878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.485878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.485878 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -69.565
Base-Backbone interact. energy: 0.164
local terms energy: -75.918478
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -19.587
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: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -178.736477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.736477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.736477 (E_RNA)
where:
Base-Base interactions energy: -110.257
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.814
local terms energy: -67.666105
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -10.714
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: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -112.850463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.850463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.850463 (E_RNA)
where:
Base-Base interactions energy: -49.971
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.130
local terms energy: -62.749028
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -11.722
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: 476
Temperature: 1.050000
Total energy: -115.372117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.372117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.372117 (E_RNA)
where:
Base-Base interactions energy: -52.318
where: short stacking energy: -39.498
Base-Backbone interact. energy: -0.122
local terms energy: -62.931691
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -11.506
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: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -108.980337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980337 (E_RNA)
where:
Base-Base interactions energy: -47.032
where: short stacking energy: -43.152
Base-Backbone interact. energy: -0.010
local terms energy: -61.938918
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -106.928417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.928417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.928417 (E_RNA)
where:
Base-Base interactions energy: -47.501
where: short stacking energy: -46.673
Base-Backbone interact. energy: -0.059
local terms energy: -59.368292
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -87.013840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.013840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.013840 (E_RNA)
where:
Base-Base interactions energy: -40.595
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.105
local terms energy: -46.313666
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -82.545163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545163 (E_RNA)
where:
Base-Base interactions energy: -27.016
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.409
local terms energy: -55.120091
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -11.339
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: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -79.463813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.463813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.463813 (E_RNA)
where:
Base-Base interactions energy: -33.331
where: short stacking energy: -29.160
Base-Backbone interact. energy: -0.001
local terms energy: -46.131591
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -84.810350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810350 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.014
local terms energy: -55.329429
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.647
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -210.070370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.070370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.070370 (E_RNA)
where:
Base-Base interactions energy: -127.698
where: short stacking energy: -75.999
Base-Backbone interact. energy: -1.376
local terms energy: -80.996731
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -171.050648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.050648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.050648 (E_RNA)
where:
Base-Base interactions energy: -106.596
where: short stacking energy: -56.401
Base-Backbone interact. energy: -0.926
local terms energy: -63.528625
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -128.249592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.249592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.249592 (E_RNA)
where:
Base-Base interactions energy: -67.430
where: short stacking energy: -47.890
Base-Backbone interact. energy: -0.124
local terms energy: -60.694892
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -112.276295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.276295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.276295 (E_RNA)
where:
Base-Base interactions energy: -53.664
where: short stacking energy: -38.704
Base-Backbone interact. energy: -0.185
local terms energy: -58.427325
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -11.495
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: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -91.450552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.450552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.450552 (E_RNA)
where:
Base-Base interactions energy: -38.110
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.693
local terms energy: -52.646904
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -100.144589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144589 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -37.636
Base-Backbone interact. energy: -0.032
local terms energy: -61.427114
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -11.268
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: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -92.494161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494161 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -33.805
Base-Backbone interact. energy: 0.257
local terms energy: -58.946165
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -80.000466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000466 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.288
local terms energy: -51.367935
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -84.098330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098330 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.438
local terms energy: -46.136000
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -73.445781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.445781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.445781 (E_RNA)
where:
Base-Base interactions energy: -22.156
where: short stacking energy: -20.904
Base-Backbone interact. energy: -0.785
local terms energy: -50.504654
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: 1.108
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: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -193.398433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.398433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.398433 (E_RNA)
where:
Base-Base interactions energy: -114.397
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.013
local terms energy: -78.988099
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.044
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: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -177.354784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.354784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.354784 (E_RNA)
where:
Base-Base interactions energy: -108.179
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.003
local terms energy: -69.172375
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -107.624852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.624852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.624852 (E_RNA)
where:
Base-Base interactions energy: -57.800
where: short stacking energy: -44.800
Base-Backbone interact. energy: -1.088
local terms energy: -48.736732
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -7.918
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -103.216183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.216183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.216183 (E_RNA)
where:
Base-Base interactions energy: -49.303
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.043
local terms energy: -53.870395
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -8.015
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: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -91.197978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197978 (E_RNA)
where:
Base-Base interactions energy: -28.470
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.111
local terms energy: -62.616824
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -106.900574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.900574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.900574 (E_RNA)
where:
Base-Base interactions energy: -48.016
where: short stacking energy: -35.370
Base-Backbone interact. energy: 0.872
local terms energy: -59.756753
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -86.996378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996378 (E_RNA)
where:
Base-Base interactions energy: -33.455
where: short stacking energy: -23.648
Base-Backbone interact. energy: 2.585
local terms energy: -56.126930
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -86.899181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899181 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -27.398
Base-Backbone interact. energy: -1.064
local terms energy: -51.133817
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -7.088
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: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -81.154222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.154222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.154222 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -25.340
Base-Backbone interact. energy: -0.093
local terms energy: -53.105949
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.004
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: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -78.879487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.879487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.879487 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.031
local terms energy: -47.714407
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -194.916306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.916306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.916306 (E_RNA)
where:
Base-Base interactions energy: -116.620
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.001
local terms energy: -78.295142
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -189.752213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.752213 (E_RNA)
where:
Base-Base interactions energy: -115.251
where: short stacking energy: -63.767
Base-Backbone interact. energy: -0.001
local terms energy: -74.500696
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.684
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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -125.931267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.931267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.931267 (E_RNA)
where:
Base-Base interactions energy: -56.685
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.064
local terms energy: -69.182370
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -111.985240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.985240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.985240 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -33.919
Base-Backbone interact. energy: -0.026
local terms energy: -62.149691
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -108.462887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.462887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.462887 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -35.634
Base-Backbone interact. energy: -1.569
local terms energy: -61.736337
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -11.145
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: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -90.928700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928700 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.011
local terms energy: -50.753640
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -85.431190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.431190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.431190 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.237
local terms energy: -53.392985
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -90.419993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419993 (E_RNA)
where:
Base-Base interactions energy: -35.261
where: short stacking energy: -26.241
Base-Backbone interact. energy: 1.804
local terms energy: -56.962977
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -81.557819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.557819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.557819 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.236
local terms energy: -51.038379
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -6.310
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -70.031597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.031597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.031597 (E_RNA)
where:
Base-Base interactions energy: -23.510
where: short stacking energy: -21.928
Base-Backbone interact. energy: -0.067
local terms energy: -46.455059
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -196.296754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.296754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.296754 (E_RNA)
where:
Base-Base interactions energy: -124.953
where: short stacking energy: -67.970
Base-Backbone interact. energy: 2.772
local terms energy: -74.116292
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -18.563
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: 480
Temperature: 0.950000
Total energy: -191.176934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.176934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.176934 (E_RNA)
where:
Base-Base interactions energy: -113.240
where: short stacking energy: -61.926
Base-Backbone interact. energy: 0.826
local terms energy: -78.763028
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -124.502934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.502934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.502934 (E_RNA)
where:
Base-Base interactions energy: -57.886
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.074
local terms energy: -66.543408
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -94.269767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.269767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.269767 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -36.854
Base-Backbone interact. energy: -0.164
local terms energy: -57.252149
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.484
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: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -106.954884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.954884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.954884 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -36.039
Base-Backbone interact. energy: -0.075
local terms energy: -64.735445
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -97.237534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237534 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -38.406
Base-Backbone interact. energy: -0.084
local terms energy: -57.191016
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -97.430404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.430404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.430404 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.055
local terms energy: -55.181510
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -83.181587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181587 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -21.842
Base-Backbone interact. energy: -0.085
local terms energy: -53.011867
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -78.345772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.345772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.345772 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.844
local terms energy: -50.724657
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -76.353922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.353922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.353922 (E_RNA)
where:
Base-Base interactions energy: -17.535
where: short stacking energy: -12.347
Base-Backbone interact. energy: -0.328
local terms energy: -58.491480
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -207.454750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.454750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.454750 (E_RNA)
where:
Base-Base interactions energy: -135.664
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.087
local terms energy: -71.703879
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -20.301
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: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -182.917180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.917180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.917180 (E_RNA)
where:
Base-Base interactions energy: -108.737
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.011
local terms energy: -74.169296
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -19.732
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: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -126.413765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.413765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.413765 (E_RNA)
where:
Base-Base interactions energy: -57.968
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.021
local terms energy: -68.425084
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -113.949390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.949390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.949390 (E_RNA)
where:
Base-Base interactions energy: -58.613
where: short stacking energy: -46.178
Base-Backbone interact. energy: 0.762
local terms energy: -56.098123
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.351
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: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -94.511008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511008 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.029
local terms energy: -58.115795
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -104.332516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.332516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.332516 (E_RNA)
where:
Base-Base interactions energy: -48.202
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.100
local terms energy: -56.029984
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -8.179
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: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -103.955789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.955789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.955789 (E_RNA)
where:
Base-Base interactions energy: -54.191
where: short stacking energy: -28.331
Base-Backbone interact. energy: -0.135
local terms energy: -49.629437
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -5.141
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -74.815831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.815831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.815831 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -22.088
Base-Backbone interact. energy: -0.383
local terms energy: -47.737499
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -9.275
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -80.529051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529051 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -29.129
Base-Backbone interact. energy: 1.633
local terms energy: -46.067471
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -76.951817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.951817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.951817 (E_RNA)
where:
Base-Base interactions energy: -26.837
where: short stacking energy: -26.837
Base-Backbone interact. energy: -0.083
local terms energy: -50.031662
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -200.371148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.371148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.371148 (E_RNA)
where:
Base-Base interactions energy: -125.178
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.091
local terms energy: -75.102103
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -175.126650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.126650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.126650 (E_RNA)
where:
Base-Base interactions energy: -107.494
where: short stacking energy: -49.446
Base-Backbone interact. energy: 0.288
local terms energy: -67.920527
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -128.716740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.716740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.716740 (E_RNA)
where:
Base-Base interactions energy: -62.942
where: short stacking energy: -51.936
Base-Backbone interact. energy: -0.068
local terms energy: -65.706911
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.384
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: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -111.573646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.573646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.573646 (E_RNA)
where:
Base-Base interactions energy: -58.732
where: short stacking energy: -34.834
Base-Backbone interact. energy: -0.467
local terms energy: -52.375157
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -108.378997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.378997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.378997 (E_RNA)
where:
Base-Base interactions energy: -50.048
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.087
local terms energy: -58.243924
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.413
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: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -112.367789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.367789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.367789 (E_RNA)
where:
Base-Base interactions energy: -47.441
where: short stacking energy: -47.441
Base-Backbone interact. energy: -0.120
local terms energy: -64.807058
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -82.744826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.744826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.744826 (E_RNA)
where:
Base-Base interactions energy: -30.508
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.044
local terms energy: -52.192518
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -93.520013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.520013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.520013 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.026
local terms energy: -47.929739
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -89.983058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.983058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.983058 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.135
local terms energy: -53.197173
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.694
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: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -66.585382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.585382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.585382 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.103
local terms energy: -40.734192
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: 3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -210.880214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.880214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.880214 (E_RNA)
where:
Base-Base interactions energy: -133.885
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.179
local terms energy: -76.816125
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -178.660785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.660785 (E_RNA)
where:
Base-Base interactions energy: -108.837
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.078
local terms energy: -69.745649
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -15.976
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: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -118.198408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.198408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.198408 (E_RNA)
where:
Base-Base interactions energy: -54.708
where: short stacking energy: -42.805
Base-Backbone interact. energy: -0.003
local terms energy: -63.486466
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -140.281450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.281450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.281450 (E_RNA)
where:
Base-Base interactions energy: -66.275
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.008
local terms energy: -73.998671
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -108.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.447726 (E_RNA)
where:
Base-Base interactions energy: -54.011
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.026
local terms energy: -54.410888
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -97.329643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.329643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.329643 (E_RNA)
where:
Base-Base interactions energy: -44.457
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.098
local terms energy: -52.774623
where:
bonds (distance) C4'-P energy: -5.963
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -97.959045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959045 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.318
local terms energy: -63.423717
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -8.679
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: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -75.503558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.503558 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.090
local terms energy: -51.180590
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -80.888432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.888432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.888432 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -26.635
Base-Backbone interact. energy: -0.029
local terms energy: -47.004081
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -72.726310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.726310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.726310 (E_RNA)
where:
Base-Base interactions energy: -29.143
where: short stacking energy: -27.575
Base-Backbone interact. energy: -0.051
local terms energy: -43.531982
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -184.456829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.456829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.456829 (E_RNA)
where:
Base-Base interactions energy: -116.834
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.409
local terms energy: -67.214085
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -202.677191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677191 (E_RNA)
where:
Base-Base interactions energy: -126.856
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.175
local terms energy: -75.646127
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -168.344368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.344368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.344368 (E_RNA)
where:
Base-Base interactions energy: -101.228
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.001
local terms energy: -67.115254
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -134.823541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.823541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.823541 (E_RNA)
where:
Base-Base interactions energy: -69.120
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.449
local terms energy: -65.254922
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -109.876624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.876624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.876624 (E_RNA)
where:
Base-Base interactions energy: -50.212
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.001
local terms energy: -59.664047
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -15.990
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: 484
Temperature: 1.150000
Total energy: -94.541409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.541409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.541409 (E_RNA)
where:
Base-Base interactions energy: -38.712
where: short stacking energy: -38.712
Base-Backbone interact. energy: -0.459
local terms energy: -55.370559
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -83.692192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692192 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.093
local terms energy: -44.847835
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.932
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: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -92.545811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545811 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -30.065
Base-Backbone interact. energy: 3.113
local terms energy: -58.217248
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -10.082
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -74.064752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.064752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.064752 (E_RNA)
where:
Base-Base interactions energy: -22.404
where: short stacking energy: -22.991
Base-Backbone interact. energy: -0.033
local terms energy: -51.628028
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -84.246967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.246967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.246967 (E_RNA)
where:
Base-Base interactions energy: -42.881
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.103
local terms energy: -41.262659
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: 1.324
tors. eta vs tors. theta energy: -5.613
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: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -186.196620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196620 (E_RNA)
where:
Base-Base interactions energy: -112.456
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.036
local terms energy: -73.704318
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -15.482
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: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -204.486497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.486497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.486497 (E_RNA)
where:
Base-Base interactions energy: -131.021
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.303
local terms energy: -73.161758
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -171.826942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826942 (E_RNA)
where:
Base-Base interactions energy: -99.232
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.912
local terms energy: -71.682833
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -124.061139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.061139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.061139 (E_RNA)
where:
Base-Base interactions energy: -60.792
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.018
local terms energy: -63.250687
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -99.976761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.976761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.976761 (E_RNA)
where:
Base-Base interactions energy: -34.995
where: short stacking energy: -34.995
Base-Backbone interact. energy: -0.026
local terms energy: -64.955113
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -12.681
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: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -108.177191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.177191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.177191 (E_RNA)
where:
Base-Base interactions energy: -45.325
where: short stacking energy: -39.939
Base-Backbone interact. energy: -0.072
local terms energy: -62.780737
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -90.762535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762535 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.359
local terms energy: -61.321964
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -5.156
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: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -98.758701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.758701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.758701 (E_RNA)
where:
Base-Base interactions energy: -44.553
where: short stacking energy: -32.531
Base-Backbone interact. energy: 4.305
local terms energy: -58.510049
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -77.304461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.304461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.304461 (E_RNA)
where:
Base-Base interactions energy: -23.158
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.204
local terms energy: -53.942780
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -73.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.519813 (E_RNA)
where:
Base-Base interactions energy: -26.519
where: short stacking energy: -21.695
Base-Backbone interact. energy: -0.057
local terms energy: -46.944387
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -197.112363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.112363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.112363 (E_RNA)
where:
Base-Base interactions energy: -122.075
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.476
local terms energy: -74.561010
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -188.003200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.003200 (E_RNA)
where:
Base-Base interactions energy: -116.922
where: short stacking energy: -66.443
Base-Backbone interact. energy: -0.001
local terms energy: -71.080007
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -165.703792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.703792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.703792 (E_RNA)
where:
Base-Base interactions energy: -95.739
where: short stacking energy: -57.276
Base-Backbone interact. energy: -0.042
local terms energy: -69.922125
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -146.182152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.182152 (E_RNA)
where:
Base-Base interactions energy: -80.727
where: short stacking energy: -57.919
Base-Backbone interact. energy: -0.131
local terms energy: -65.323572
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -110.858204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.858204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.858204 (E_RNA)
where:
Base-Base interactions energy: -50.507
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.398
local terms energy: -59.952993
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -98.089233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.089233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.089233 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.350
local terms energy: -58.008870
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -98.947780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.947780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.947780 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.215
local terms energy: -59.117538
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -7.537
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -87.007383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.007383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.007383 (E_RNA)
where:
Base-Base interactions energy: -34.615
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.851
local terms energy: -51.541304
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -79.918943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.918943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.918943 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -27.799
Base-Backbone interact. energy: -0.447
local terms energy: -39.458891
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -75.368402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.368402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.368402 (E_RNA)
where:
Base-Base interactions energy: -24.317
where: short stacking energy: -20.535
Base-Backbone interact. energy: -1.377
local terms energy: -49.673895
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -211.087461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.087461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.087461 (E_RNA)
where:
Base-Base interactions energy: -133.932
where: short stacking energy: -75.957
Base-Backbone interact. energy: 1.381
local terms energy: -78.536958
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -179.889855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.889855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.889855 (E_RNA)
where:
Base-Base interactions energy: -108.217
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.221
local terms energy: -71.451337
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -160.321200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.321200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.321200 (E_RNA)
where:
Base-Base interactions energy: -96.170
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.098
local terms energy: -64.053433
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -103.684013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.684013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.684013 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.101
local terms energy: -63.681897
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -102.069898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.069898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.069898 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -38.866
Base-Backbone interact. energy: -1.121
local terms energy: -61.766657
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -6.511
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: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -98.188664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.188664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.188664 (E_RNA)
where:
Base-Base interactions energy: -41.138
where: short stacking energy: -41.138
Base-Backbone interact. energy: -0.166
local terms energy: -56.884098
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -9.520
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: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -92.226124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226124 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -35.685
Base-Backbone interact. energy: -0.368
local terms energy: -53.203056
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -6.771
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: 487
Temperature: 1.250000
Total energy: -79.302622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.302622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.302622 (E_RNA)
where:
Base-Base interactions energy: -25.809
where: short stacking energy: -25.809
Base-Backbone interact. energy: 0.450
local terms energy: -53.943113
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -4.417
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: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -83.182132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.182132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.182132 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -27.273
Base-Backbone interact. energy: -0.702
local terms energy: -37.644674
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -75.637771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.637771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.637771 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -28.336
Base-Backbone interact. energy: 1.705
local terms energy: -49.006700
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -197.751108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.751108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.751108 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.045
local terms energy: -72.304646
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -171.578402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.578402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.578402 (E_RNA)
where:
Base-Base interactions energy: -98.238
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.035
local terms energy: -73.305906
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -174.301708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.301708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.301708 (E_RNA)
where:
Base-Base interactions energy: -114.124
where: short stacking energy: -52.011
Base-Backbone interact. energy: -0.349
local terms energy: -59.829212
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -127.430969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.430969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.430969 (E_RNA)
where:
Base-Base interactions energy: -66.647
where: short stacking energy: -40.693
Base-Backbone interact. energy: 0.028
local terms energy: -60.812460
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -112.186089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.186089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.186089 (E_RNA)
where:
Base-Base interactions energy: -60.524
where: short stacking energy: -33.664
Base-Backbone interact. energy: -0.150
local terms energy: -51.511316
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -5.378
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: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -94.920443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.920443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.920443 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -39.260
Base-Backbone interact. energy: -0.176
local terms energy: -55.485239
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -84.511500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.511500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.511500 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.347
local terms energy: -48.247572
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -6.743
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: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -76.333089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.333089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.333089 (E_RNA)
where:
Base-Base interactions energy: -24.330
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.348
local terms energy: -51.654907
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -80.705967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705967 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.291
local terms energy: -46.882980
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -6.634
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: 488
Temperature: 1.350000
Total energy: -75.549364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.549364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.549364 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -14.925
Base-Backbone interact. energy: -0.380
local terms energy: -46.975554
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -6.471
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: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -196.027643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.027643 (E_RNA)
where:
Base-Base interactions energy: -117.812
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.765
local terms energy: -77.450456
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -174.745465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.745465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.745465 (E_RNA)
where:
Base-Base interactions energy: -107.022
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.324
local terms energy: -67.398852
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -176.748607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.748607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.748607 (E_RNA)
where:
Base-Base interactions energy: -105.818
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.056
local terms energy: -70.874375
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -119.988084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.988084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.988084 (E_RNA)
where:
Base-Base interactions energy: -51.042
where: short stacking energy: -51.042
Base-Backbone interact. energy: -0.010
local terms energy: -68.936052
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -10.499
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: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -98.235657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235657 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.105
local terms energy: -57.561401
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -7.080
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: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -93.702744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.702744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.702744 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.042
local terms energy: -63.075160
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -96.018932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.018932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.018932 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.056
local terms energy: -56.094120
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -95.871667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.871667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.871667 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -34.593
Base-Backbone interact. energy: 0.268
local terms energy: -61.546480
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.421
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: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -88.149325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149325 (E_RNA)
where:
Base-Base interactions energy: -38.485
where: short stacking energy: -24.765
Base-Backbone interact. energy: -0.158
local terms energy: -49.506569
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -4.201
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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -72.475808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.475808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.475808 (E_RNA)
where:
Base-Base interactions energy: -24.210
where: short stacking energy: -24.210
Base-Backbone interact. energy: 0.135
local terms energy: -48.401758
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -186.639593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.639593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.639593 (E_RNA)
where:
Base-Base interactions energy: -108.791
where: short stacking energy: -51.572
Base-Backbone interact. energy: -0.534
local terms energy: -77.314649
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -193.585303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585303 (E_RNA)
where:
Base-Base interactions energy: -120.425
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.153
local terms energy: -73.007817
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -182.182886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.182886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.182886 (E_RNA)
where:
Base-Base interactions energy: -111.234
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.014
local terms energy: -70.935622
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -8.771
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: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -112.052742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.052742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.052742 (E_RNA)
where:
Base-Base interactions energy: -48.372
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.087
local terms energy: -63.593964
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -10.520
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: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -105.741943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.741943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.741943 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -40.289
Base-Backbone interact. energy: -0.215
local terms energy: -59.151132
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -106.849095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.849095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.849095 (E_RNA)
where:
Base-Base interactions energy: -54.010
where: short stacking energy: -30.991
Base-Backbone interact. energy: 0.044
local terms energy: -52.882924
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -7.102
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: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -98.929931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.929931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.929931 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.586
Base-Backbone interact. energy: -0.117
local terms energy: -59.942033
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -90.323414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.323414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.323414 (E_RNA)
where:
Base-Base interactions energy: -43.726
where: short stacking energy: -32.365
Base-Backbone interact. energy: 0.110
local terms energy: -46.707829
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -2.000
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -94.850502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.850502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.850502 (E_RNA)
where:
Base-Base interactions energy: -31.426
where: short stacking energy: -31.426
Base-Backbone interact. energy: -0.123
local terms energy: -63.301811
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -73.190798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.190798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.190798 (E_RNA)
where:
Base-Base interactions energy: -23.323
where: short stacking energy: -20.191
Base-Backbone interact. energy: -0.064
local terms energy: -49.804383
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -185.960521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.960521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.960521 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -61.761
Base-Backbone interact. energy: 2.276
local terms energy: -66.883134
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.899
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: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -190.605542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.605542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.605542 (E_RNA)
where:
Base-Base interactions energy: -127.321
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.105
local terms energy: -63.179920
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -181.386135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.386135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386135 (E_RNA)
where:
Base-Base interactions energy: -109.369
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.031
local terms energy: -71.986357
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -108.822214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.822214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.822214 (E_RNA)
where:
Base-Base interactions energy: -56.988
where: short stacking energy: -32.012
Base-Backbone interact. energy: -0.173
local terms energy: -51.660880
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -96.343247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.343247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.343247 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.005
local terms energy: -62.994343
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -5.010
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: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -108.633198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.633198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.633198 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -38.922
Base-Backbone interact. energy: 0.101
local terms energy: -66.680565
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -86.305036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305036 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -22.477
Base-Backbone interact. energy: -0.009
local terms energy: -51.959921
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -86.361216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.361216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.361216 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -29.299
Base-Backbone interact. energy: 0.855
local terms energy: -52.653001
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.105949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.105949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.105949 (E_RNA)
where:
Base-Base interactions energy: -29.248
where: short stacking energy: -29.248
Base-Backbone interact. energy: 0.676
local terms energy: -59.534117
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -74.970625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.970625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.970625 (E_RNA)
where:
Base-Base interactions energy: -23.927
where: short stacking energy: -22.792
Base-Backbone interact. energy: -0.134
local terms energy: -50.909517
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.240
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: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -202.737394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.737394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.737394 (E_RNA)
where:
Base-Base interactions energy: -135.917
where: short stacking energy: -50.062
Base-Backbone interact. energy: 0.902
local terms energy: -67.722384
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -173.191189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.191189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.191189 (E_RNA)
where:
Base-Base interactions energy: -105.430
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.169
local terms energy: -67.592116
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -180.539253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.539253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.539253 (E_RNA)
where:
Base-Base interactions energy: -110.319
where: short stacking energy: -63.259
Base-Backbone interact. energy: 0.779
local terms energy: -70.998963
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -120.624306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.624306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.624306 (E_RNA)
where:
Base-Base interactions energy: -57.393
where: short stacking energy: -48.131
Base-Backbone interact. energy: -0.141
local terms energy: -63.090628
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -94.613856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.613856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.613856 (E_RNA)
where:
Base-Base interactions energy: -42.802
where: short stacking energy: -30.060
Base-Backbone interact. energy: 0.053
local terms energy: -51.864783
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -90.473748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473748 (E_RNA)
where:
Base-Base interactions energy: -28.191
where: short stacking energy: -26.898
Base-Backbone interact. energy: -0.044
local terms energy: -62.238727
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.285
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: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -85.376154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376154 (E_RNA)
where:
Base-Base interactions energy: -25.377
where: short stacking energy: -23.506
Base-Backbone interact. energy: -0.262
local terms energy: -59.736653
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -86.422189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422189 (E_RNA)
where:
Base-Base interactions energy: -31.640
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.138
local terms energy: -54.643902
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -74.304859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.304859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.304859 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.089
local terms energy: -47.475345
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -78.836558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836558 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -29.057
Base-Backbone interact. energy: -0.130
local terms energy: -48.877202
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -185.340441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.340441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.340441 (E_RNA)
where:
Base-Base interactions energy: -108.993
where: short stacking energy: -57.746
Base-Backbone interact. energy: 0.799
local terms energy: -77.146752
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -14.695
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: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -183.212127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.212127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.212127 (E_RNA)
where:
Base-Base interactions energy: -106.424
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.117
local terms energy: -76.671186
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -176.725480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.725480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.725480 (E_RNA)
where:
Base-Base interactions energy: -109.514
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.087
local terms energy: -67.124168
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -13.926
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: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -111.665880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.665880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.665880 (E_RNA)
where:
Base-Base interactions energy: -60.700
where: short stacking energy: -44.007
Base-Backbone interact. energy: -0.336
local terms energy: -50.629936
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -100.897629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897629 (E_RNA)
where:
Base-Base interactions energy: -40.941
where: short stacking energy: -40.941
Base-Backbone interact. energy: -0.179
local terms energy: -59.777764
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -101.488890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.488890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.488890 (E_RNA)
where:
Base-Base interactions energy: -54.661
where: short stacking energy: -54.661
Base-Backbone interact. energy: -0.117
local terms energy: -46.710802
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -2.906
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -89.367808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.367808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.367808 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.196
local terms energy: -51.675378
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -84.563786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.563786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.563786 (E_RNA)
where:
Base-Base interactions energy: -29.744
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.130
local terms energy: -54.690445
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -79.480274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.480274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.480274 (E_RNA)
where:
Base-Base interactions energy: -24.038
where: short stacking energy: -19.269
Base-Backbone interact. energy: -0.106
local terms energy: -55.336789
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.737
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: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -75.435750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.435750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.435750 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.295
local terms energy: -42.237500
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -7.511
flat angles P-C4'-P energy: -9.399
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: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -197.972162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.972162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972162 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -69.614
Base-Backbone interact. energy: 0.348
local terms energy: -77.994982
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -14.035
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: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -186.487775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.487775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.487775 (E_RNA)
where:
Base-Base interactions energy: -121.755
where: short stacking energy: -61.900
Base-Backbone interact. energy: 0.759
local terms energy: -65.491903
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -170.519805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.519805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.519805 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -46.879
Base-Backbone interact. energy: -0.075
local terms energy: -63.215680
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.123
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: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -102.483694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.483694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.483694 (E_RNA)
where:
Base-Base interactions energy: -52.757
where: short stacking energy: -33.596
Base-Backbone interact. energy: -0.357
local terms energy: -49.369713
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -116.671282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.671282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.671282 (E_RNA)
where:
Base-Base interactions energy: -57.220
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.845
local terms energy: -58.606127
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -98.041843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.041843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.041843 (E_RNA)
where:
Base-Base interactions energy: -42.029
where: short stacking energy: -27.970
Base-Backbone interact. energy: -0.058
local terms energy: -55.954765
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -9.274
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: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -88.476404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.476404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.476404 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -28.708
Base-Backbone interact. energy: 0.030
local terms energy: -53.186142
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -4.752
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: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -91.002282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002282 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.255
local terms energy: -59.721156
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.787
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: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -75.470252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.470252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.470252 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.122
local terms energy: -46.785886
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -88.952989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952989 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -30.234
Base-Backbone interact. energy: 0.567
local terms energy: -50.314104
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -1.919
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: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -185.598789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.598789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.598789 (E_RNA)
where:
Base-Base interactions energy: -111.318
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.554
local terms energy: -73.726362
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -188.892053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.892053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.892053 (E_RNA)
where:
Base-Base interactions energy: -117.602
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.098
local terms energy: -71.191344
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -20.792
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: 495
Temperature: 1.000000
Total energy: -171.552210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.552210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552210 (E_RNA)
where:
Base-Base interactions energy: -96.332
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.011
local terms energy: -75.209071
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -121.474394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.474394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.474394 (E_RNA)
where:
Base-Base interactions energy: -57.792
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.009
local terms energy: -63.674012
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -107.374500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.374500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.374500 (E_RNA)
where:
Base-Base interactions energy: -49.450
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.006
local terms energy: -57.918632
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -99.169051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.169051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.169051 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -35.592
Base-Backbone interact. energy: 0.060
local terms energy: -61.445413
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -87.026768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026768 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.050
local terms energy: -51.788544
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -89.544606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.544606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.544606 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.040
local terms energy: -52.098174
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -78.854201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.854201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.854201 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.097
local terms energy: -52.218919
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -6.916
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: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -88.223782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223782 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -34.326
Base-Backbone interact. energy: -0.232
local terms energy: -52.868620
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.472
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: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -191.763497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.763497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.763497 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.003
local terms energy: -75.484431
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.351
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: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -181.504673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.504673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.504673 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.844
local terms energy: -66.773952
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -155.610734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.610734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.610734 (E_RNA)
where:
Base-Base interactions energy: -90.970
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.254
local terms energy: -64.386127
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -157.316247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.316247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.316247 (E_RNA)
where:
Base-Base interactions energy: -94.816
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.057
local terms energy: -62.443562
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -98.702526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702526 (E_RNA)
where:
Base-Base interactions energy: -40.045
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.950
local terms energy: -57.707595
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -9.210
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: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -97.413567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.413567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.413567 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -36.489
Base-Backbone interact. energy: -0.107
local terms energy: -60.817983
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -92.965366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.965366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.965366 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.059
local terms energy: -59.169269
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -3.904
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: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -85.887487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.887487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.887487 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -22.391
Base-Backbone interact. energy: 0.526
local terms energy: -52.337957
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -78.220939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.220939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.220939 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -15.371
Base-Backbone interact. energy: -0.260
local terms energy: -51.704025
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -83.760938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760938 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.549
local terms energy: -50.194568
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -188.743798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.743798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.743798 (E_RNA)
where:
Base-Base interactions energy: -125.287
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.060
local terms energy: -63.396845
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -17.555
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: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -169.079147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.079147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.079147 (E_RNA)
where:
Base-Base interactions energy: -96.699
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.002
local terms energy: -72.378771
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -190.408927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.408927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.408927 (E_RNA)
where:
Base-Base interactions energy: -114.630
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.692
local terms energy: -75.087554
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -17.837
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: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -157.923003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.923003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.923003 (E_RNA)
where:
Base-Base interactions energy: -96.083
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.135
local terms energy: -61.704473
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.422
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: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -122.585974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.585974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.585974 (E_RNA)
where:
Base-Base interactions energy: -61.488
where: short stacking energy: -40.753
Base-Backbone interact. energy: -0.066
local terms energy: -61.032178
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -103.145048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.145048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.145048 (E_RNA)
where:
Base-Base interactions energy: -44.152
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.093
local terms energy: -58.899491
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -93.318173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318173 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.095
local terms energy: -54.076995
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.762
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: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -87.800780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.800780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.800780 (E_RNA)
where:
Base-Base interactions energy: -29.873
where: short stacking energy: -29.873
Base-Backbone interact. energy: -0.126
local terms energy: -57.801832
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -84.138450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138450 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -38.101
Base-Backbone interact. energy: -0.004
local terms energy: -45.107589
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -73.203006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.203006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.203006 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -26.995
Base-Backbone interact. energy: -0.364
local terms energy: -42.397327
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -184.055468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.055468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.055468 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.117
local terms energy: -72.826392
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -191.910530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.910530 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.000
local terms energy: -79.854125
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -173.545397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.545397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.545397 (E_RNA)
where:
Base-Base interactions energy: -110.895
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.195
local terms energy: -62.455118
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -171.927394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927394 (E_RNA)
where:
Base-Base interactions energy: -101.322
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.076
local terms energy: -70.528854
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -102.969288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.969288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.969288 (E_RNA)
where:
Base-Base interactions energy: -50.945
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.081
local terms energy: -51.942732
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -8.557
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: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -105.368885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.368885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.368885 (E_RNA)
where:
Base-Base interactions energy: -52.645
where: short stacking energy: -35.025
Base-Backbone interact. energy: 0.356
local terms energy: -53.079001
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -2.223
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: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -86.425075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425075 (E_RNA)
where:
Base-Base interactions energy: -38.097
where: short stacking energy: -31.619
Base-Backbone interact. energy: 0.062
local terms energy: -48.389625
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -98.008929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.008929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.008929 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.641
local terms energy: -53.541318
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -83.714839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714839 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.159
local terms energy: -47.542192
where:
bonds (distance) C4'-P energy: -4.328
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.902
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: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -74.230491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.230491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.230491 (E_RNA)
where:
Base-Base interactions energy: -25.816
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.152
local terms energy: -48.262845
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -5.778
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: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -189.672987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.672987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.672987 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -69.399
Base-Backbone interact. energy: -0.114
local terms energy: -71.805260
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -193.580605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.580605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.580605 (E_RNA)
where:
Base-Base interactions energy: -114.090
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.712
local terms energy: -78.779279
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.738
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: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -181.341321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.341321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.341321 (E_RNA)
where:
Base-Base interactions energy: -103.112
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.067
local terms energy: -78.162319
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -109.707281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.707281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.707281 (E_RNA)
where:
Base-Base interactions energy: -52.625
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.158
local terms energy: -56.924018
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -5.446
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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -143.675915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.675915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.675915 (E_RNA)
where:
Base-Base interactions energy: -81.616
where: short stacking energy: -48.796
Base-Backbone interact. energy: -0.031
local terms energy: -62.028114
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -119.176062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.176062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.176062 (E_RNA)
where:
Base-Base interactions energy: -52.683
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.003
local terms energy: -66.490876
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -88.715843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715843 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.170
local terms energy: -47.930961
where:
bonds (distance) C4'-P energy: -7.499
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -9.700
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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -86.877975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877975 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.010
local terms energy: -56.364339
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -76.453127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.453127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.453127 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -30.896
Base-Backbone interact. energy: 1.417
local terms energy: -45.597592
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.337
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: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -78.302349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302349 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -23.010
Base-Backbone interact. energy: -0.180
local terms energy: -43.043591
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.000
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: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -197.267815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267815 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.076
local terms energy: -77.895638
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -14.257
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: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -182.643140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.643140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643140 (E_RNA)
where:
Base-Base interactions energy: -112.187
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.177
local terms energy: -70.279738
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -175.826451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826451 (E_RNA)
where:
Base-Base interactions energy: -101.742
where: short stacking energy: -63.828
Base-Backbone interact. energy: -0.035
local terms energy: -74.049853
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -106.534072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.534072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.534072 (E_RNA)
where:
Base-Base interactions energy: -48.075
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.048
local terms energy: -58.410985
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -7.981
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: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -105.335822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.335822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.335822 (E_RNA)
where:
Base-Base interactions energy: -47.232
where: short stacking energy: -38.665
Base-Backbone interact. energy: 0.516
local terms energy: -58.620414
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -141.127879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.127879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.127879 (E_RNA)
where:
Base-Base interactions energy: -89.935
where: short stacking energy: -44.772
Base-Backbone interact. energy: -0.114
local terms energy: -51.078200
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -96.244118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244118 (E_RNA)
where:
Base-Base interactions energy: -43.710
where: short stacking energy: -43.710
Base-Backbone interact. energy: 0.149
local terms energy: -52.683298
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -10.810
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: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -92.111278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.111278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.111278 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -27.432
Base-Backbone interact. energy: 1.125
local terms energy: -55.877938
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -90.839315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.839315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.839315 (E_RNA)
where:
Base-Base interactions energy: -45.255
where: short stacking energy: -24.648
Base-Backbone interact. energy: -1.347
local terms energy: -44.237406
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: 3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -78.926264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926264 (E_RNA)
where:
Base-Base interactions energy: -26.129
where: short stacking energy: -20.937
Base-Backbone interact. energy: 0.251
local terms energy: -53.048054
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -193.222129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.222129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.222129 (E_RNA)
where:
Base-Base interactions energy: -120.421
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.972
local terms energy: -71.829717
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -182.796674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796674 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.087
local terms energy: -74.945484
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -16.125
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: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -160.231366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.231366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.231366 (E_RNA)
where:
Base-Base interactions energy: -89.021
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.178
local terms energy: -71.031926
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -127.334896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.334896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.334896 (E_RNA)
where:
Base-Base interactions energy: -66.635
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.809
local terms energy: -59.891193
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -9.184
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: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -116.995252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.995252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.995252 (E_RNA)
where:
Base-Base interactions energy: -51.534
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.059
local terms energy: -65.401969
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.520
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -150.500855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.500855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.500855 (E_RNA)
where:
Base-Base interactions energy: -94.427
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.917
local terms energy: -55.156853
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -6.228
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: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -97.957101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957101 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -39.760
Base-Backbone interact. energy: -0.006
local terms energy: -57.402638
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -77.384208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.384208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.384208 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.288
local terms energy: -47.198099
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -78.056480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056480 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -21.687
Base-Backbone interact. energy: 1.378
local terms energy: -53.606759
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -80.483958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.483958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.483958 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -18.920
Base-Backbone interact. energy: -0.034
local terms energy: -56.864862
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13791888
moves confirmed later: 15348273
all moves confirmed: 29140161
percent of confirmed moves: 3.642520
current total energy: -169.668974
recalc. total energy: -169.668974
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22287559
moves confirmed later: 26762183
all moves confirmed: 49049742
percent of confirmed moves: 6.131218
current total energy: -156.356445
recalc. total energy: -156.356445
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 24455066
moves confirmed later: 29695699
all moves confirmed: 54150765
percent of confirmed moves: 6.768846
current total energy: -144.762771
recalc. total energy: -144.762771
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 24117178
moves confirmed later: 29162462
all moves confirmed: 53279640
percent of confirmed moves: 6.659955
current total energy: -62.630513
recalc. total energy: -62.630513
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21947471
moves confirmed later: 26303092
all moves confirmed: 48250563
percent of confirmed moves: 6.031320
current total energy: -52.240560
recalc. total energy: -52.240560
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15440148
moves confirmed later: 17477802
all moves confirmed: 32917950
percent of confirmed moves: 4.114744
current total energy: -44.124107
recalc. total energy: -44.124107
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23853373
moves confirmed later: 28830781
all moves confirmed: 52684154
percent of confirmed moves: 6.585519
current total energy: -39.332737
recalc. total energy: -39.332737
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 23199509
moves confirmed later: 27936478
all moves confirmed: 51135987
percent of confirmed moves: 6.391998
current total energy: -44.858001
recalc. total energy: -44.858001
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24667933
moves confirmed later: 29973267
all moves confirmed: 54641200
percent of confirmed moves: 6.830150
current total energy: -40.555553
recalc. total energy: -40.555553
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 19274517
moves confirmed later: 22673250
all moves confirmed: 41947767
percent of confirmed moves: 5.243471
current total energy: -22.311880
recalc. total energy: -22.311880
out arg RESULTS//1/KEDV-cc53dbfb_01
Time of doing 8000000 iterations: 2436.362 seconds